(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine

C23H24ClNO2 — CID 51988789

IUPAC(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H24ClNO2/c1-17(19-9-4-3-5-10-19)25-15-20-11-7-13-22(26-2)23(20)27-16-18-8-6-12-21(24)14-18/h3-14,17,25H,15-16H2,1-2H3/t17-/m0/s1
InChIKeyVMGXJBYOUMBWRN-KRWDZBQOSA-N
MW381.90 g/mol
LogP5.78
Rot. Bonds8

About (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine

(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine (PubChem CID 51988789) has the molecular formula C23H24ClNO2 and a molecular weight of 381.90 g/mol. Its IUPAC name is (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
PubChem CID51988789
Molecular FormulaC23H24ClNO2
Molecular Weight381.90 g/mol
Exact Mass381.15
IUPAC Name(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
SMILESCOc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1cccc(Cl)c1
InChIInChI=1S/C23H24ClNO2/c1-17(19-9-4-3-5-10-19)25-15-20-11-7-13-22(26-2)23(20)27-16-18-8-6-12-21(24)14-18/h3-14,17,25H,15-16H2,1-2H3/t17-/m0/s1
InChIKeyVMGXJBYOUMBWRN-KRWDZBQOSA-N
XLogP5.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.90
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-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

(2S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 51988848
(1S)-N-[[2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine
CID 29187859
N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]-1,1-diphenylmethanamine
CID 19644572
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine
CID 17211116
(1S)-1-phenyl-N-[(2-phenylmethoxyphenyl)methyl]ethanamine
CID 40761616
(1R)-N-[[2-[(3,4-dichlorophenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 51990873
(1R)-1-(3-chlorophenyl)-N-[(2-fluoro-3-methoxyphenyl)methyl]ethanamine
CID 104791968
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 4715541
(1R)-N-[[3-chloro-4-[(3,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 51995684
N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-phenylbutan-2-amine;hydrochloride
CID 17211113
N-[[6-bromo-3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 66536162
(1R)-N-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-phenylethanamine
CID 40761835

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine?
The IUPAC name of (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine (CID 51988789) is (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine.
What is the SMILES notation for (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine?
The canonical SMILES for (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine is COc1cccc(CN[C@@H](C)c2ccccc2)c1OCc1cccc(Cl)c1.
What is the InChIKey of (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine?
The InChIKey is VMGXJBYOUMBWRN-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H24ClNO2/c1-17(19-9-4-3-5-10-19)25-15-20-11-7-13-22(26-2)23(20)27-16-18-8-6-12-21(24)14-18/h3-14,17,25H,15-16H2,1-2H3/t17-/m0/s1.
What are the key properties of (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine?
(1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine has a molecular weight of 381.90 g/mol, XLogP of 5.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-phenylethanamine is sourced from PubChem (CID 51988789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).