2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one
TL;DR: 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one (CAS 110871-26-6) is a chemical compound with molecular formula C18H21NO and molecular weight 267.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-2,2-dimethyl-1-phenylpropan-1-one
Also Known As: 3-(Benzylamino)-2,2-dimethyl-1-phenyl-1-propanone, 3-(benzylamino)-2,2-dimethyl-1-phenylpropan-1-one, 2,2-dimethyl-3-(N-benzylamino)-1-phenyl-1-propanone, 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one, 3-(Benzylamino)-2,2-dimethyl-1-phenyl-1-propanone #
| Molecular Formula | C18H21NO |
|---|---|
| Molecular Weight | 267.16 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 267.16232 |
| Heavy Atoms | 20 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 110871-26-6 |
|---|---|
| SMILES | CC(C)(CNCC1=CC=CC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | LNDTXAVXPAAVRY-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one (CAS 110871-26-6), with molecular formula C18H21NO and molecular weight 267.16 g/mol. IUPAC: 3-(benzylamino)-2,2-dimethyl-1-phenylpropan-1-one.
Chemical Property Profile of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one
Property Insights of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one
The XLogP value of 3.5 indicates that 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one?
The CAS number of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one is 110871-26-6.
What is the molecular formula of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one?
The molecular formula of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one is C18H21NO.
What is the molecular weight of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one?
The molecular weight of 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one is 267.16 g/mol.
Where can I buy 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one?
You can request a quote for 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-(N-benzylamino)-1-phenyl-propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.