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

C16H18BrN — CID 79442413

IUPAC2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN/c1-12-2-4-13(5-3-12)10-15(11-18)14-6-8-16(17)9-7-14/h2-9,15H,10-11,18H2,1H3
InChIKeyAASXVBNCAADFKR-UHFFFAOYSA-N
MW304.23 g/mol
LogP4.04
Rot. Bonds4

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

2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine (PubChem CID 79442413) has the molecular formula C16H18BrN and a molecular weight of 304.23 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
PubChem CID79442413
Molecular FormulaC16H18BrN
Molecular Weight304.23 g/mol
Exact Mass303.06
IUPAC Name2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine
SMILESCc1ccc(CC(CN)c2ccc(Br)cc2)cc1
InChIInChI=1S/C16H18BrN/c1-12-2-4-13(5-3-12)10-15(11-18)14-6-8-16(17)9-7-14/h2-9,15H,10-11,18H2,1H3
InChIKeyAASXVBNCAADFKR-UHFFFAOYSA-N
XLogP4.04
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.23
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-bromophenyl)-3-(4-fluorophenyl)propan-1-amine
CID 79441901
3-(4-bromophenyl)-2-phenylpropan-1-amine
CID 65429656
2-(4-bromophenyl)-1-(4-methylphenyl)ethanamine
CID 24697978
3-(5-bromo-2-pyridinyl)-2-(4-methylphenyl)propan-1-amine
CID 113455848
3-(3,4-difluorophenyl)-2-(4-methylphenyl)propan-1-amine
CID 82929801
3-(3-bromo-4-methoxyphenyl)-2-(4-bromophenyl)propan-1-amine
CID 79438085
1-bromo-4-[1-(4-bromophenyl)-3-chloropropan-2-yl]benzene
CID 79435566
N-methyl-2,3-bis(4-methylphenyl)propan-1-amine
CID 79437244
(2R)-3-(4-bromophenyl)-2-methylpropan-1-amine
CID 94460671
3,4-bis(4-methylphenyl)butane-1-thiol
CID 175037833
1-methyl-4-[2-(4-propan-2-ylphenyl)butyl]benzene
CID 91475154
1-[3-bromo-2-(4-bromophenyl)propyl]-3,5-dimethylbenzene
CID 79434998

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine (CID 79442413) is 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine is Cc1ccc(CC(CN)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine?
The InChIKey is AASXVBNCAADFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN/c1-12-2-4-13(5-3-12)10-15(11-18)14-6-8-16(17)9-7-14/h2-9,15H,10-11,18H2,1H3.
What are the key properties of 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine?
2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine has a molecular weight of 304.23 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 79442413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).