2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine

C15H14BrClFN — CID 64713817

IUPAC2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(16)8-6-10)12-3-2-4-13(17)15(12)18/h2-8,14,19H,9H2,1H3
InChIKeyDQRIBSMZXGPKSN-UHFFFAOYSA-N
MW342.64 g/mol
LogP4.74
Rot. Bonds4

About 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine (PubChem CID 64713817) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
PubChem CID64713817
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1F
InChIInChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(16)8-6-10)12-3-2-4-13(17)15(12)18/h2-8,14,19H,9H2,1H3
InChIKeyDQRIBSMZXGPKSN-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.64
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-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-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 81477648
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107097065
2-(3-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 79709381
1-(3-chloro-2-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406219
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
2-(2-bromo-5-fluorophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64714177
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 112704196
(2R)-2-(3-chloro-2-fluorophenyl)-2-(methylamino)ethanol
CID 130706318
1-(5-bromo-2-chlorophenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 63527047
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine (CID 64713817) is 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cccc(Cl)c1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
The InChIKey is DQRIBSMZXGPKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-19-14(9-10-5-7-11(16)8-6-10)12-3-2-4-13(17)15(12)18/h2-8,14,19H,9H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine has a molecular weight of 342.64 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine is sourced from PubChem (CID 64713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).