1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

C16H17BrClNO2 — CID 82777912

IUPAC1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-16(19,12-6-5-11(17)9-13(12)18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,19H2,1-3H3
InChIKeyGAKJEGQNHYZFTO-UHFFFAOYSA-N
MW370.67 g/mol
LogP4.34
Rot. Bonds4

About 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine

1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (PubChem CID 82777912) has the molecular formula C16H17BrClNO2 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
PubChem CID82777912
Molecular FormulaC16H17BrClNO2
Molecular Weight370.67 g/mol
Exact Mass369.01
IUPAC Name1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
SMILESCOc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1OC
InChIInChI=1S/C16H17BrClNO2/c1-16(19,12-6-5-11(17)9-13(12)18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,19H2,1-3H3
InChIKeyGAKJEGQNHYZFTO-UHFFFAOYSA-N
XLogP4.34
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)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

1-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107128285
2-(4-bromo-2-chlorophenyl)-1-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 82777110
1-(2,4-dichloro-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 62794899
1-(4-bromo-2-chlorophenyl)-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116543051
1-(5-chloro-2-methoxyphenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 62790432
1-(4-bromo-2-chlorophenyl)-1-(4-fluoro-2-methylphenyl)ethanamine
CID 82778962
2-(4-bromo-2-chlorophenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 82778672
2-(4-bromo-2-methoxyphenyl)butan-2-amine
CID 130134221
4-bromo-2-chloro-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637134
2-(4-bromo-2-chlorophenyl)propan-2-ol
CID 58764285
1-(4-bromo-2-chlorophenyl)-1-(2-fluoro-3-methoxyphenyl)ethanol
CID 82808045
2-(4-bromo-2-chlorophenyl)-1-(4-bromophenyl)propan-2-amine
CID 82780088

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine (CID 82777912) is 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is COc1ccc(C(C)(N)c2ccc(Br)cc2Cl)cc1OC.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
The InChIKey is GAKJEGQNHYZFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO2/c1-16(19,12-6-5-11(17)9-13(12)18)10-4-7-14(20-2)15(8-10)21-3/h4-9H,19H2,1-3H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine?
1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine has a molecular weight of 370.67 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine is sourced from PubChem (CID 82777912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).