1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine

C16H18BrNO — CID 61263481

IUPAC1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11,15H,9-10,18H2,1H3
InChIKeyJUILJKNEQHXTKL-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine

1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine (PubChem CID 61263481) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
PubChem CID61263481
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine
SMILESCOc1cccc(CC(N)Cc2ccc(Br)cc2)c1
InChIInChI=1S/C16H18BrNO/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11,15H,9-10,18H2,1H3
InChIKeyJUILJKNEQHXTKL-UHFFFAOYSA-N
XLogP3.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-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

(2S)-2-amino-3-(3-methoxyphenyl)propan-1-ol
CID 28804581
1-(4-bromothiophen-2-yl)-3-(3-methoxyphenyl)propan-2-amine
CID 62602168
1-(3-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 79709615
(2S)-1-(3-methoxyphenyl)pentan-2-amine
CID 89063549
1-(2-bromo-5-fluorophenyl)-3-(3-methoxyphenyl)propan-2-amine
CID 62601198
1-chloro-2-(3-methoxyphenyl)ethanamine
CID 67681258
1-bromo-4-[1-chloro-3-(3-methoxyphenyl)propan-2-yl]benzene
CID 79434768
1-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-amine
CID 105133732
5-methoxy-1-(3-methoxyphenyl)hexan-2-amine
CID 105133883
1-(3-methoxyphenyl)dodecan-2-amine
CID 63417344
1-(3-methoxyphenyl)-3-pyridin-2-ylpropan-2-amine
CID 62600294
4-(3-methoxyphenyl)-3-methylbutan-2-amine
CID 60995099

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The IUPAC name of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine (CID 61263481) is 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine is COc1cccc(CC(N)Cc2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine?
The InChIKey is JUILJKNEQHXTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-19-16-4-2-3-13(11-16)10-15(18)9-12-5-7-14(17)8-6-12/h2-8,11,15H,9-10,18H2,1H3.
What are the key properties of 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine?
1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine has a molecular weight of 320.23 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(3-methoxyphenyl)propan-2-amine is sourced from PubChem (CID 61263481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).