3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine

C16H17BrClNO — CID 79441367

IUPAC3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
SMILESCOc1ccc(Br)c(CC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17BrClNO/c1-20-15-6-7-16(17)12(9-15)8-13(10-19)11-2-4-14(18)5-3-11/h2-7,9,13H,8,10,19H2,1H3
InChIKeyZALLJHRUGXIOOF-UHFFFAOYSA-N
MW354.68 g/mol
LogP4.40
Rot. Bonds5

About 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine

3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine (PubChem CID 79441367) has the molecular formula C16H17BrClNO and a molecular weight of 354.68 g/mol. Its IUPAC name is 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
PubChem CID79441367
Molecular FormulaC16H17BrClNO
Molecular Weight354.68 g/mol
Exact Mass353.02
IUPAC Name3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine
SMILESCOc1ccc(Br)c(CC(CN)c2ccc(Cl)cc2)c1
InChIInChI=1S/C16H17BrClNO/c1-20-15-6-7-16(17)12(9-15)8-13(10-19)11-2-4-14(18)5-3-11/h2-7,9,13H,8,10,19H2,1H3
InChIKeyZALLJHRUGXIOOF-UHFFFAOYSA-N
XLogP4.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.68
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine 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

3-(2-bromo-5-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79437673
2-(2-bromo-5-methoxyphenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 65325450
3-(2-bromo-5-methoxyphenyl)-2-(3-fluorophenyl)propan-1-amine
CID 79440611
4-(2-bromo-5-methoxyphenyl)-3-methylbutan-1-amine
CID 81013376
2-(3,4-difluorophenyl)-3-(2,5-dimethoxyphenyl)propan-1-amine
CID 83973696
1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(4-chloro-2-fluorophenyl)ethanamine
CID 65325566
2-(2-bromo-5-methoxyphenyl)ethanamine
CID 46831332
2-[(2-bromo-5-methoxyphenyl)methyl]-3-(2-bromophenyl)propan-1-amine
CID 65326574
2-(4-methoxyphenyl)-3-(2,4,5-trimethoxyphenyl)propan-1-amine
CID 83972538
2-(2-bromo-5-methoxyphenyl)ethanamine;hydrochloride
CID 53493299
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine?
The IUPAC name of 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine (CID 79441367) is 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine.
What is the SMILES notation for 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine?
The canonical SMILES for 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine is COc1ccc(Br)c(CC(CN)c2ccc(Cl)cc2)c1.
What is the InChIKey of 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine?
The InChIKey is ZALLJHRUGXIOOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO/c1-20-15-6-7-16(17)12(9-15)8-13(10-19)11-2-4-14(18)5-3-11/h2-7,9,13H,8,10,19H2,1H3.
What are the key properties of 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine?
3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine has a molecular weight of 354.68 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-methoxyphenyl)-2-(4-chlorophenyl)propan-1-amine is sourced from PubChem (CID 79441367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).