1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine

C15H15BrClN — CID 60818143

IUPAC1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-18-15(12-3-2-4-13(16)10-12)9-11-5-7-14(17)8-6-11/h2-8,10,15,18H,9H2,1H3
InChIKeyARFMJJOMKPANJD-UHFFFAOYSA-N
MW324.65 g/mol
LogP4.61
Rot. Bonds4

About 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine

1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine (PubChem CID 60818143) has the molecular formula C15H15BrClN and a molecular weight of 324.65 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
PubChem CID60818143
Molecular FormulaC15H15BrClN
Molecular Weight324.65 g/mol
Exact Mass323.01
IUPAC Name1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrClN/c1-18-15(12-3-2-4-13(16)10-12)9-11-5-7-14(17)8-6-11/h2-8,10,15,18H,9H2,1H3
InChIKeyARFMJJOMKPANJD-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.65
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine 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

[1-(3-bromophenyl)-2-(4-chlorophenyl)ethyl]hydrazine
CID 105198151
1-(3-chlorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 60818995
1-(3-bromophenyl)-2-(4-tert-butylphenyl)-N-methylethanamine
CID 63412783
1-(3-bromophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 61064465
1-(3-bromophenyl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 63412697
1-(3-bromophenyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 60818684
1-(3-chlorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 63411987
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
1-(4-bromo-3-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 63527917
1-(3-bromo-5-chlorophenyl)-N-methyl-2-phenylethanamine
CID 114019196
2-(4-chlorophenyl)-1-[3-(difluoromethoxy)phenyl]-N-methylethanamine
CID 61065024
2-(4-bromophenyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 60799436

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine (CID 60818143) is 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine is CNC(Cc1ccc(Cl)cc1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
The InChIKey is ARFMJJOMKPANJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN/c1-18-15(12-3-2-4-13(16)10-12)9-11-5-7-14(17)8-6-11/h2-8,10,15,18H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine?
1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine has a molecular weight of 324.65 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-chlorophenyl)-N-methylethanamine is sourced from PubChem (CID 60818143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).