2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine

C16H17BrFN — CID 81477648

IUPAC2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(C)c1F
InChIInChI=1S/C16H17BrFN/c1-11-4-3-5-14(16(11)18)15(19-2)10-12-6-8-13(17)9-7-12/h3-9,15,19H,10H2,1-2H3
InChIKeyHMKQXXNGAGEORZ-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.40
Rot. Bonds4

About 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine

2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine (PubChem CID 81477648) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
PubChem CID81477648
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Br)cc1)c1cccc(C)c1F
InChIInChI=1S/C16H17BrFN/c1-11-4-3-5-14(16(11)18)15(19-2)10-12-6-8-13(17)9-7-12/h3-9,15,19H,10H2,1-2H3
InChIKeyHMKQXXNGAGEORZ-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(4-bromophenyl)-1-(2-fluoro-3-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-(4-bromophenyl)-1-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 64713817
1-(2-fluoro-3-methylphenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 115844233
1-(2-fluoro-3-methylphenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 81477959
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
1-[2-(4-bromophenyl)-1-chloroethyl]-2-fluoro-3-methylbenzene
CID 81477923
2-(4-bromophenyl)-1-(3-chloro-2-methylphenyl)-N-methylethanamine
CID 107097065
1-(3-bromo-2-fluorophenyl)-2-(4-chlorophenyl)-N-methylethanamine
CID 106645338
2-(5-bromo-2-methoxyphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine
CID 115817218
1-(3-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 107952774
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(2-fluoro-3-methylphenyl)-N-methylethane-1,2-diamine
CID 127004323
N-ethyl-1-(2-fluoro-3-methylphenyl)-2-(4-methylphenyl)ethanamine
CID 81477799

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine?
The IUPAC name of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine (CID 81477648) is 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine?
The canonical SMILES for 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine is CNC(Cc1ccc(Br)cc1)c1cccc(C)c1F.
What is the InChIKey of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine?
The InChIKey is HMKQXXNGAGEORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-4-3-5-14(16(11)18)15(19-2)10-12-6-8-13(17)9-7-12/h3-9,15,19H,10H2,1-2H3.
What are the key properties of 2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine?
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)-N-methylethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.40, 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-(2-fluoro-3-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 81477648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).