1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

C16H16BrF2N — CID 115810219

IUPAC1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-10-3-4-11(8-14(10)17)16(20-2)9-12-7-13(18)5-6-15(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyDRPQORBSDCHFNP-UHFFFAOYSA-N
MW340.21 g/mol
LogP4.54
Rot. Bonds4

About 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine

1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (PubChem CID 115810219) has the molecular formula C16H16BrF2N and a molecular weight of 340.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
PubChem CID115810219
Molecular FormulaC16H16BrF2N
Molecular Weight340.21 g/mol
Exact Mass339.04
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1F)c1ccc(C)c(Br)c1
InChIInChI=1S/C16H16BrF2N/c1-10-3-4-11(8-14(10)17)16(20-2)9-12-7-13(18)5-6-15(12)19/h3-8,16,20H,9H2,1-2H3
InChIKeyDRPQORBSDCHFNP-UHFFFAOYSA-N
XLogP4.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.21
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-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-bromo-5-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843772
1-(4-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810141
2-(2,5-difluorophenyl)-1-(3,4-dimethylphenyl)-N-methylethanamine
CID 115809738
2-(2-bromo-4-fluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 115843251
1-(4-bromo-3-fluorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115809591
1-(3-bromo-4-methylphenyl)-2-(2-chloro-4-fluorophenyl)-N-methylethanamine
CID 115840570
1-(4-bromo-3-chlorophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 115810390
1-(3,5-dibromophenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107973909
2-(3-bromo-2,6-difluorophenyl)-1-(3-bromo-4-methylphenyl)-N-methylethanamine
CID 106269029
1-(3-bromo-4-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 79746440
2-(2-bromo-4-fluorophenyl)-1-(4-bromo-3-methylphenyl)-N-methylethanamine
CID 115843230
2-(5-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 103048488

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine (CID 115810219) is 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1F)c1ccc(C)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
The InChIKey is DRPQORBSDCHFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrF2N/c1-10-3-4-11(8-14(10)17)16(20-2)9-12-7-13(18)5-6-15(12)19/h3-8,16,20H,9H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine?
1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine has a molecular weight of 340.21 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine is sourced from PubChem (CID 115810219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).