2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

C15H15F3N2O — CID 28579124

IUPAC2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1ccc(CNCCc2ccccn2)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)21-14-6-4-12(5-7-14)11-19-10-8-13-3-1-2-9-20-13/h1-7,9,19H,8,10-11H2
InChIKeyKJPRPCBRVAXCMC-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.31
Rot. Bonds6

About 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine

2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 28579124) has the molecular formula C15H15F3N2O and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID28579124
Molecular FormulaC15H15F3N2O
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1ccc(CNCCc2ccccn2)cc1
InChIInChI=1S/C15H15F3N2O/c16-15(17,18)21-14-6-4-12(5-7-14)11-19-10-8-13-3-1-2-9-20-13/h1-7,9,19H,8,10-11H2
InChIKeyKJPRPCBRVAXCMC-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)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-[(4-fluorophenyl)methyl]-2-pyridin-2-ylethanamine
CID 13082717
N-[(4-propoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 28614976
2-(1-methylimidazol-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 61214878
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
6-N-(2-pyridin-2-ylethyl)-4-N-[4-(trifluoromethoxy)phenyl]pyrimidine-4,6-diamine
CID 117091899
2-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 62758203
N-[(3-phenoxyphenyl)methyl]-2-pyridin-2-ylethanamine
CID 21071539
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 43195719
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
N-[[4-(trifluoromethoxy)phenyl]methyl]pent-4-yn-1-amine
CID 103701703
N-[(3-chloro-4-methylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 106816068
2-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 4723814

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 28579124) is 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is FC(F)(F)Oc1ccc(CNCCc2ccccn2)cc1.
What is the InChIKey of 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is KJPRPCBRVAXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O/c16-15(17,18)21-14-6-4-12(5-7-14)11-19-10-8-13-3-1-2-9-20-13/h1-7,9,19H,8,10-11H2.
What are the key properties of 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine?
2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 296.29 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 28579124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).