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

C15H15F3N2 — CID 63840403

IUPACN-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N2/c1-3-19-15(12-8-9(2)6-7-20-12)10-4-5-11(16)14(18)13(10)17/h4-8,15,19H,3H2,1-2H3
InChIKeyCJUIDUHUSXWKOH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.51
Rot. Bonds4

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

N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (PubChem CID 63840403) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
PubChem CID63840403
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
SMILESCCNC(c1cc(C)ccn1)c1ccc(F)c(F)c1F
InChIInChI=1S/C15H15F3N2/c1-3-19-15(12-8-9(2)6-7-20-12)10-4-5-11(16)14(18)13(10)17/h4-8,15,19H,3H2,1-2H3
InChIKeyCJUIDUHUSXWKOH-UHFFFAOYSA-N
XLogP3.51
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)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-[(2,3-difluoro-4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]propan-1-amine
CID 107513360
N-[(1-methylimidazol-4-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 107975197
N-[(4-methylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840250
N-[(4-ethylphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63840683
N-[(4-ethoxyphenyl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 63841105
N-[(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 62964289
N-[(2-chlorofuran-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 106692004
N-[pyridin-2-yl-(2,3,4-trifluorophenyl)methyl]propan-1-amine
CID 62965809
N-[(7-fluoro-1-benzofuran-2-yl)-(4-methyl-2-pyridinyl)methyl]ethanamine
CID 114728628
N-[(2,5-dimethylpyrazol-3-yl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 105146439
N-[(3-ethyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 82732775
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine (CID 63840403) is N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is CCNC(c1cc(C)ccn1)c1ccc(F)c(F)c1F.
What is the InChIKey of N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
The InChIKey is CJUIDUHUSXWKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-3-19-15(12-8-9(2)6-7-20-12)10-4-5-11(16)14(18)13(10)17/h4-8,15,19H,3H2,1-2H3.
What are the key properties of N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine?
N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-2-pyridinyl)-(2,3,4-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63840403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).