N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine

C15H14F3N — CID 115503166

IUPACN-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-3-5-11(6-4-10)12-7-14(17)15(18)8-13(12)16/h3-8,19H,2,9H2,1H3
InChIKeyXJACNLSKGOECPP-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.88
Rot. Bonds4

About N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine

N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine (PubChem CID 115503166) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
PubChem CID115503166
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(-c2cc(F)c(F)cc2F)cc1
InChIInChI=1S/C15H14F3N/c1-2-19-9-10-3-5-11(6-4-10)12-7-14(17)15(18)8-13(12)16/h3-8,19H,2,9H2,1H3
InChIKeyXJACNLSKGOECPP-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_1', 'substructure': 'N/A'}

Analyze N-[[4-(2,4,5-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-(3,4-difluorophenyl)-4-fluorophenyl]methyl]ethanamine
CID 61033140
N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]propan-2-amine
CID 115503150
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(3-fluoro-2-methylphenyl)phenyl]methyl]ethanamine
CID 115502833
N-[[4-(2-chloro-5-fluorophenyl)phenyl]methyl]ethanamine
CID 105395732
N-[[4-(2,4,5-trimethylphenyl)phenyl]methyl]ethanamine
CID 64985239
N-[(4-fluorophenyl)methyl]ethanamine
CID 4716481
N-[[4-(2,4-difluoro-5-methylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81441068
N-[(4-methylphenyl)methyl]ethanamine
CID 4716476
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219
N-[[3-fluoro-4-(2,4,6-trifluorophenyl)phenyl]methyl]ethanamine
CID 81447877
N-[[4-(4-propylphenyl)phenyl]methyl]ethanamine
CID 63424945

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine (CID 115503166) is N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine is CCNCc1ccc(-c2cc(F)c(F)cc2F)cc1.
What is the InChIKey of N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine?
The InChIKey is XJACNLSKGOECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-2-19-9-10-3-5-11(6-4-10)12-7-14(17)15(18)8-13(12)16/h3-8,19H,2,9H2,1H3.
What are the key properties of N-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine?
N-[[4-(2,4,5-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-[[4-(2,4,5-trifluorophenyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 115503166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).