1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
TL;DR: 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- (CAS 95116-31-7) is a chemical compound with molecular formula C12H14N2 and molecular weight 186.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
Also Known As: pyrrole inhibitor 17, N-(benzyl),N-(pyrrol-2-ylmethyl)amine, benzyl(1H-pyrrol-2-ylmethyl)amine, 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-, 1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine
| Molecular Formula | C12H14N2 |
|---|---|
| Molecular Weight | 186.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.11569 |
| Heavy Atoms | 14 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 95116-31-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNCC2=CC=CN2 |
| InChIKey | YOGRUDYQEJQNLR-UHFFFAOYSA-N |
Product Overview
1H-Pyrrole-2-methanamine, N-(phenylmethyl)- (CAS 95116-31-7), with molecular formula C12H14N2 and molecular weight 186.12 g/mol. IUPAC: 1-phenyl-N-(1H-pyrrol-2-ylmethyl)methanamine.
Chemical Property Profile of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
Property Insights of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-. With a topological polar surface area (TPSA) of 27.8 Ų, 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- has 2 hydrogen bond donor(s) and 1 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 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-?
The CAS number of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- is 95116-31-7.
What is the molecular formula of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-?
The molecular formula of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- is C12H14N2.
What is the molecular weight of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-?
The molecular weight of 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- is 186.12 g/mol.
Where can I buy 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-?
You can request a quote for 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2-methanamine, N-(phenylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2-methanamine, N-(phenylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.