(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine

C16H17BrFN — CID 81384034

IUPAC(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1cc(F)ccc1CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-9-14(18)8-7-13(11)10-19-12(2)15-5-3-4-6-16(15)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyNTDJKSFXXMIKTI-LBPRGKRZSA-N
MW322.22 g/mol
LogP4.75
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine (PubChem CID 81384034) has the molecular formula C16H17BrFN and a molecular weight of 322.22 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
PubChem CID81384034
Molecular FormulaC16H17BrFN
Molecular Weight322.22 g/mol
Exact Mass321.05
IUPAC Name(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
SMILESCc1cc(F)ccc1CN[C@@H](C)c1ccccc1Br
InChIInChI=1S/C16H17BrFN/c1-11-9-14(18)8-7-13(11)10-19-12(2)15-5-3-4-6-16(15)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1
InChIKeyNTDJKSFXXMIKTI-LBPRGKRZSA-N
XLogP4.75
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 ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine 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

(1S)-N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81398001
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380511
(1R)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880955
(1S)-1-(2-bromophenyl)-N-[(2-fluoro-5-methylphenyl)methyl]ethanamine
CID 103880970
1-(2,5-dimethylphenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 62134587
(1S)-1-(2-bromophenyl)-N-[(5-fluoro-2-nitrophenyl)methyl]ethanamine
CID 81378356
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
1-(2-bromophenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346812
N-[(4-fluoro-2-methylphenyl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 62134908
N-[(4-fluoro-2-methylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 62135238
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-5-methoxyphenol
CID 81379403

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine (CID 81384034) is (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine is Cc1cc(F)ccc1CN[C@@H](C)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine?
The InChIKey is NTDJKSFXXMIKTI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17BrFN/c1-11-9-14(18)8-7-13(11)10-19-12(2)15-5-3-4-6-16(15)17/h3-9,12,19H,10H2,1-2H3/t12-/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine has a molecular weight of 322.22 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 81384034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).