2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine

C16H17BrClN — CID 115787187

IUPAC2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1cc(Cl)ccc1C
InChIInChI=1S/C16H17BrClN/c1-11-7-8-13(18)10-14(11)16(19-2)9-12-5-3-4-6-15(12)17/h3-8,10,16,19H,9H2,1-2H3
InChIKeyWPPHTYLBLMCYFL-UHFFFAOYSA-N
MW338.68 g/mol
LogP4.91
Rot. Bonds4

About 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine (PubChem CID 115787187) has the molecular formula C16H17BrClN and a molecular weight of 338.68 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
PubChem CID115787187
Molecular FormulaC16H17BrClN
Molecular Weight338.68 g/mol
Exact Mass337.02
IUPAC Name2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1cc(Cl)ccc1C
InChIInChI=1S/C16H17BrClN/c1-11-7-8-13(18)10-14(11)16(19-2)9-12-5-3-4-6-15(12)17/h3-8,10,16,19H,9H2,1-2H3
InChIKeyWPPHTYLBLMCYFL-UHFFFAOYSA-N
XLogP4.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.68
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-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

2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-ethylethanamine
CID 115787466
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 115862271
2-(2-bromophenyl)-1-(4-chloro-2-methoxyphenyl)-N-methylethanamine
CID 115786880
2-(2-bromophenyl)-1-(4-chlorophenyl)-N-methylethanamine
CID 60817908
1-(4-bromo-2-chlorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786767
1-(2-bromo-4-chlorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 107988832
2-(2-bromophenyl)-1-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 63420196
1-(5-chloro-2-fluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61066303
1-(5-bromo-2-methylphenyl)-2-(2,3-dichlorophenyl)-N-methylethanamine
CID 107312321
2-(5-bromo-3-pyridinyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine
CID 105036789
1-(3-bromo-2-methylphenyl)-2-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 105055263
1-(2,5-dimethylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43483828

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine (CID 115787187) is 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine?
The InChIKey is WPPHTYLBLMCYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN/c1-11-7-8-13(18)10-14(11)16(19-2)9-12-5-3-4-6-15(12)17/h3-8,10,16,19H,9H2,1-2H3.
What are the key properties of 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine?
2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine has a molecular weight of 338.68 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(5-chloro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 115787187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).