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

C15H15F3N2 — CID 62802970

IUPACN-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2/c1-2-20-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-10,14,20H,2H2,1H3
InChIKeyNDZSQSCUNXYNKH-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.80
Rot. Bonds4

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

N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 62802970) has the molecular formula C15H15F3N2 and a molecular weight of 280.29 g/mol. Its IUPAC name is N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID62802970
Molecular FormulaC15H15F3N2
Molecular Weight280.29 g/mol
Exact Mass280.12
IUPAC NameN-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccncc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H15F3N2/c1-2-20-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-10,14,20H,2H2,1H3
InChIKeyNDZSQSCUNXYNKH-UHFFFAOYSA-N
XLogP3.80
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 ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-iodophenyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853842
N-[(6-methyl-3-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115854580
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 107288766
N-[[2-methyl-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 102753570
N-[phenyl-[4-(trifluoromethyl)-3-pyridinyl]methyl]propan-1-amine
CID 102708017
N-[(2-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62790911
N-[(1-methylpyrazol-3-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 65200285
N-[pyridazin-4-yl-[2-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105141520
N-[1-benzothiophen-3-yl(pyridin-4-yl)methyl]ethanamine
CID 43492304
N-ethyl-2-[2-(trifluoromethyl)phenyl]pentan-3-amine
CID 63561717
N-[(3-bromothiophen-2-yl)-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 80536090
N-ethyl-2-methoxy-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 55120507

Frequently Asked Questions

What is the IUPAC name of N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 62802970) is N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccncc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is NDZSQSCUNXYNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2/c1-2-20-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)15(16,17)18/h3-10,14,20H,2H2,1H3.
What are the key properties of N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 280.29 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyridin-4-yl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 62802970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).