1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine

C15H16ClNO — CID 79701061

IUPAC1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
SMILESCOc1cc(C(N)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-18-15-10-12(7-8-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10,14H,9,17H2,1H3
InChIKeyGCZMAGCHFQEVCX-UHFFFAOYSA-N
MW261.75 g/mol
LogP3.59
Rot. Bonds4

About 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine

1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine (PubChem CID 79701061) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
PubChem CID79701061
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
SMILESCOc1cc(C(N)Cc2ccccc2)ccc1Cl
InChIInChI=1S/C15H16ClNO/c1-18-15-10-12(7-8-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10,14H,9,17H2,1H3
InChIKeyGCZMAGCHFQEVCX-UHFFFAOYSA-N
XLogP3.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-chloro-3-methoxyphenyl)-2-(2-chlorophenyl)ethanamine
CID 79698284
1-(3-chloro-4,5-dimethoxyphenyl)-2-phenylethanamine
CID 60955928
1-(4-chloro-3-methoxyphenyl)-2-(3,5-difluorophenyl)ethanamine
CID 79700846
[1-(4-chloro-3-methoxyphenyl)-2-phenylethyl]hydrazine
CID 105195152
2-(3-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 3052546
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
(1S)-1-(4-chloro-3-methoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171230706
2-(4-chlorophenyl)-1-(3-methoxy-4-methylphenyl)ethanamine
CID 61077971
2-(3-chlorophenyl)-1-(4-fluoro-3-methoxyphenyl)ethanamine
CID 81284039
(1R)-1-(4-chloro-3-methoxyphenyl)butane-1,4-diamine;hydrochloride
CID 171211107
(1R)-1-(4-chloro-3-methoxyphenyl)pentan-1-amine;hydrochloride
CID 171211117

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine (CID 79701061) is 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine is COc1cc(C(N)Cc2ccccc2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine?
The InChIKey is GCZMAGCHFQEVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-18-15-10-12(7-8-13(15)16)14(17)9-11-5-3-2-4-6-11/h2-8,10,14H,9,17H2,1H3.
What are the key properties of 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine?
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine has a molecular weight of 261.75 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine is sourced from PubChem (CID 79701061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).