1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine

C17H20BrNO — CID 62553466

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10,16H,9,19H2,1-3H3
InChIKeyHDFYCPIQUAVCFU-UHFFFAOYSA-N
MW334.26 g/mol
LogP4.32
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine

1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine (PubChem CID 62553466) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
PubChem CID62553466
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cc2ccc(C)c(C)c2)cc1Br
InChIInChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10,16H,9,19H2,1-3H3
InChIKeyHDFYCPIQUAVCFU-UHFFFAOYSA-N
XLogP4.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)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

2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-4-methylphenyl)ethanamine
CID 115817898
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
1-(3-bromo-4-methoxyphenyl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899973
1-(3-bromo-4-methoxyphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885311
2-(3-bromo-4-methoxyphenyl)-1-(3,5-dibromophenyl)ethanamine
CID 107974001
1-(3-bromo-4-methoxyphenyl)-3-methylbutan-1-amine
CID 43131096
(1R)-1-(3-bromo-4-methoxyphenyl)propan-1-amine
CID 28881228
(1S)-1-(3-bromo-4-methoxyphenyl)-3,3-difluoropropan-1-amine
CID 171313051
1-(3-bromo-4-methoxyphenyl)-2-pyridin-3-ylethanamine
CID 105034619
(1R)-1-(3-bromo-4-methoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225474
(1S)-1-(3-bromo-4-methoxyphenyl)-2-methoxyethanamine
CID 95466503
2-(3-bromo-4-methoxyphenyl)-1-thiophen-3-ylethanamine
CID 54971373

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine (CID 62553466) is 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine is COc1ccc(C(N)Cc2ccc(C)c(C)c2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
The InChIKey is HDFYCPIQUAVCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-11-4-5-13(8-12(11)2)9-16(19)14-6-7-17(20-3)15(18)10-14/h4-8,10,16H,9,19H2,1-3H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine?
1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine has a molecular weight of 334.26 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(3,4-dimethylphenyl)ethanamine is sourced from PubChem (CID 62553466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).