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

C16H17BrFN — CID 105373786

IUPAC1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-7-8-13(18)9-12(11)10-16(19-2)14-5-3-4-6-15(14)17/h3-9,16,19H,10H2,1-2H3
InChIKeyUVCKQUAPOFENLD-UHFFFAOYSA-N
MW322.22 g/mol
LogP4.40
Rot. Bonds4

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

1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (PubChem CID 105373786) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
PubChem CID105373786
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
SMILESCNC(Cc1cc(F)ccc1C)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-7-8-13(18)9-12(11)10-16(19-2)14-5-3-4-6-15(14)17/h3-9,16,19H,10H2,1-2H3
InChIKeyUVCKQUAPOFENLD-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 1-(2-bromophenyl)-2-(5-fluoro-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

1-(2-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 107985511
1-(2-bromo-5-fluorophenyl)-2-(2,5-dimethylphenyl)-N-methylethanamine
CID 63527626
1-(2-bromo-5-methoxyphenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105376965
1-(2,3-difluorophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine
CID 105377188
1-(3-bromo-2-chlorophenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105051201
1-(3-bromo-2-methylphenyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 105050985
2-(2-bromo-4-fluorophenyl)-1-(2-chloro-3-methylphenyl)-N-methylethanamine
CID 115843123
2-(2-bromo-4-fluorophenyl)-1-(2-methoxyphenyl)-N-methylethanamine
CID 62608660
1-(2-bromo-3-methylphenyl)-2-(2,5-difluorophenyl)-N-methylethanamine
CID 107984776
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(2-methylphenyl)ethanamine
CID 102618613
N-[1-(2-bromo-4-fluorophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63528107
N-[1-(2-bromophenyl)-2-(2-methylphenyl)ethyl]propan-1-amine
CID 63415263

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The IUPAC name of 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine (CID 105373786) is 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The canonical SMILES for 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is CNC(Cc1cc(F)ccc1C)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
The InChIKey is UVCKQUAPOFENLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-7-8-13(18)9-12(11)10-16(19-2)14-5-3-4-6-15(14)17/h3-9,16,19H,10H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine?
1-(2-bromophenyl)-2-(5-fluoro-2-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 1-(2-bromophenyl)-2-(5-fluoro-2-methylphenyl)-N-methylethanamine is sourced from PubChem (CID 105373786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).