N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine

C15H14F3N — CID 62963734

IUPACN-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-4-3-5-11(8-10)12-6-7-13(16)15(18)14(12)17/h3-8,19H,2,9H2,1H3
InChIKeyWPKCEHFVAIHOPF-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.88
Rot. Bonds4

About N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine

N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine (PubChem CID 62963734) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
PubChem CID62963734
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1cccc(-c2ccc(F)c(F)c2F)c1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-4-3-5-11(8-10)12-6-7-13(16)15(18)14(12)17/h3-8,19H,2,9H2,1H3
InChIKeyWPKCEHFVAIHOPF-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze N-[[3-(2,3,4-trifluorophenyl)phenyl]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

N-[[3-(2,3-difluorophenyl)phenyl]methyl]ethanamine
CID 63989003
N-[[3-(2,3-difluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 107514099
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
N-[[3-fluoro-4-(3-methylphenyl)phenyl]methyl]ethanamine
CID 81447039
N-[[3-(3,5-difluorophenyl)phenyl]methyl]ethanamine
CID 54911880
N-[[3-(3-fluoro-4-methylphenyl)phenyl]methyl]ethanamine
CID 113324415
(2R,3S)-3-amino-4-(3,5-difluorophenyl)-1-[[3-(2,3,4-trifluorophenyl)phenyl]methylamino]butan-2-ol
CID 142662278
N-[(3-phenylphenyl)methyl]ethanamine
CID 54178417
[4-(3-ethylphenyl)-2,3-difluorophenyl]boronic acid
CID 131866445
N-[(3-ethylphenyl)methyl]ethanamine
CID 79003665
N-[[3-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[3-(4-bromothiophen-3-yl)phenyl]methyl]ethanamine
CID 79601644

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine (CID 62963734) is N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine is CCNCc1cccc(-c2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is WPKCEHFVAIHOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-19-9-10-4-3-5-11(8-10)12-6-7-13(16)15(18)14(12)17/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine?
N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2,3,4-trifluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62963734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).