N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

C17H20ClNO2 — CID 65022718

IUPACN-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2OC)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-12(14-6-4-5-7-16(14)20-2)19-11-13-8-9-17(21-3)15(18)10-13/h4-10,12,19H,11H2,1-3H3
InChIKeyMBIPLEJMNZBEMY-UHFFFAOYSA-N
MW305.81 g/mol
LogP4.21
Rot. Bonds6

About N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine

N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (PubChem CID 65022718) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
PubChem CID65022718
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC NameN-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
SMILESCOc1ccc(CNC(C)c2ccccc2OC)cc1Cl
InChIInChI=1S/C17H20ClNO2/c1-12(14-6-4-5-7-16(14)20-2)19-11-13-8-9-17(21-3)15(18)10-13/h4-10,12,19H,11H2,1-3H3
InChIKeyMBIPLEJMNZBEMY-UHFFFAOYSA-N
XLogP4.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine 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

N-[(3-chloro-4-methoxyphenyl)methyl]-1-naphthalen-1-ylethanamine;hydrochloride
CID 18357734
2-methoxy-5-[[1-(2-methoxyphenyl)ethylamino]methyl]phenol
CID 43180902
(1S)-1-(2-chlorophenyl)-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine
CID 81376878
2-methoxy-4-[[[(1S)-1-(2-methoxyphenyl)ethyl]amino]methyl]phenol
CID 28624338
N-[(3-chloro-4-methylphenyl)methyl]-1-(5-fluoro-2-methoxyphenyl)ethanamine
CID 106816460
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3,4-dichlorophenyl)ethanamine
CID 65022720
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81354628
(1S)-N-[(3-chloro-4-methoxyphenyl)methyl]-1-pyridin-4-ylethanamine
CID 81405869
(1S)-N-[[4-(methoxymethyl)phenyl]methyl]-1-(2-methoxyphenyl)ethanamine
CID 81388530
N-[(3-chloro-4-methoxyphenyl)methyl]-4-methylpentan-2-amine
CID 65022730
N-[(3-chloro-4-fluorophenyl)methyl]-1-(2,5-dimethoxyphenyl)ethanamine
CID 119165246

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine (CID 65022718) is N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is COc1ccc(CNC(C)c2ccccc2OC)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
The InChIKey is MBIPLEJMNZBEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO2/c1-12(14-6-4-5-7-16(14)20-2)19-11-13-8-9-17(21-3)15(18)10-13/h4-10,12,19H,11H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine?
N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine has a molecular weight of 305.81 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methoxyphenyl)methyl]-1-(2-methoxyphenyl)ethanamine is sourced from PubChem (CID 65022718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).