2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine

C17H19BrClN — CID 63522254

IUPAC2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-16(18)8-6-13)10-14-3-2-4-17(19)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyALGKZSZJYUYCHM-UHFFFAOYSA-N
MW352.70 g/mol
LogP4.72
Rot. Bonds6

About 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine

2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine (PubChem CID 63522254) has the molecular formula C17H19BrClN and a molecular weight of 352.70 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
PubChem CID63522254
Molecular FormulaC17H19BrClN
Molecular Weight352.70 g/mol
Exact Mass351.04
IUPAC Name2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine
SMILESCNCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1
InChIInChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-16(18)8-6-13)10-14-3-2-4-17(19)11-14/h2-8,11,15,20H,9-10,12H2,1H3
InChIKeyALGKZSZJYUYCHM-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.70
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-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

2-[(3-bromophenyl)methyl]-3-(4-chlorophenyl)-N-methylpropan-1-amine
CID 63522603
2-[(4-bromophenyl)methyl]-3-(3,4-dimethylphenyl)-N-methylpropan-1-amine
CID 63521178
2-[(3-bromophenyl)methyl]-3-(5-chloro-2-fluorophenyl)-N-methylpropan-1-amine
CID 103049659
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
CID 63522633
2-[(3-bromophenyl)methyl]-3-(3,4-difluorophenyl)-N-methylpropan-1-amine
CID 82925875
2-[(3-bromophenyl)methyl]-3-(4-chloro-3-fluorophenyl)-N-methylpropan-1-amine
CID 107897206
2-[(3-bromophenyl)methyl]-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 62515402
2-[(3-chlorophenyl)methyl]-6-methoxy-N-methylhexan-1-amine
CID 104649236
2-[(3,4-dichlorophenyl)methyl]-N-methyl-3-(3-methylphenyl)propan-1-amine
CID 63522087
2-[(3-chlorophenyl)methyl]-N-ethyl-3-(4-fluorophenyl)propan-1-amine
CID 63523316
2-[(3-bromophenyl)methyl]-3-(5-chlorothiophen-2-yl)-N-methylpropan-1-amine
CID 63521745
2-[(3-chlorophenyl)methyl]-4-ethyl-N-methyloctan-1-amine
CID 63522273

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine?
The IUPAC name of 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine (CID 63522254) is 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine is CNCC(Cc1ccc(Br)cc1)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine?
The InChIKey is ALGKZSZJYUYCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrClN/c1-20-12-15(9-13-5-7-16(18)8-6-13)10-14-3-2-4-17(19)11-14/h2-8,11,15,20H,9-10,12H2,1H3.
What are the key properties of 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine?
2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine has a molecular weight of 352.70 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-3-(3-chlorophenyl)-N-methylpropan-1-amine is sourced from PubChem (CID 63522254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).