![3-[(4-Chlorophenyl)methyl]pentan-3-amine structure](/static/products/1989/1989-69-1.webp)
3-[(4-Chlorophenyl)methyl]pentan-3-amine
TL;DR: 3-[(4-Chlorophenyl)methyl]pentan-3-amine (CAS 1989-69-1) is a chemical compound with molecular formula C12H18ClN and molecular weight 211.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methyl]pentan-3-amine
Also Known As: 3-[(4-chlorophenyl)methyl]pentan-3-amine, Benzeneethanamine, 4-chloro-a,a-diethyl-,hydrochloride (1:1)
| Molecular Formula | C12H18ClN |
|---|---|
| Molecular Weight | 211.11 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.11278 |
| Heavy Atoms | 14 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 1989-69-1 |
|---|---|
| SMILES | CCC(CC)(CC1=CC=C(C=C1)Cl)N |
| InChIKey | PRZCBVIYFRTOHH-UHFFFAOYSA-N |
Product Overview
3-[(4-Chlorophenyl)methyl]pentan-3-amine (CAS 1989-69-1), with molecular formula C12H18ClN and molecular weight 211.11 g/mol. IUPAC: 3-[(4-chlorophenyl)methyl]pentan-3-amine.
Chemical Property Profile of 3-[(4-Chlorophenyl)methyl]pentan-3-amine
Property Insights of 3-[(4-Chlorophenyl)methyl]pentan-3-amine
The XLogP value of 3.7 indicates that 3-[(4-Chlorophenyl)methyl]pentan-3-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 3-[(4-Chlorophenyl)methyl]pentan-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)methyl]pentan-3-amine has 1 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 3-[(4-Chlorophenyl)methyl]pentan-3-amine?
The CAS number of 3-[(4-Chlorophenyl)methyl]pentan-3-amine is 1989-69-1.
What is the molecular formula of 3-[(4-Chlorophenyl)methyl]pentan-3-amine?
The molecular formula of 3-[(4-Chlorophenyl)methyl]pentan-3-amine is C12H18ClN.
What is the molecular weight of 3-[(4-Chlorophenyl)methyl]pentan-3-amine?
The molecular weight of 3-[(4-Chlorophenyl)methyl]pentan-3-amine is 211.11 g/mol.
Where can I buy 3-[(4-Chlorophenyl)methyl]pentan-3-amine?
You can request a quote for 3-[(4-Chlorophenyl)methyl]pentan-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-Chlorophenyl)methyl]pentan-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)methyl]pentan-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.