N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline

C19H15F3N2 — CID 10871167

IUPACN-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C19H15F3N2/c20-19(21,22)16-7-4-8-17(13-16)24-18(14-5-2-1-3-6-14)15-9-11-23-12-10-15/h1-13,18,24H
InChIKeyZZEGKCBPEHPZOK-UHFFFAOYSA-N
MW328.34 g/mol
LogP5.30
Rot. Bonds4

About N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline

N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline (PubChem CID 10871167) has the molecular formula C19H15F3N2 and a molecular weight of 328.34 g/mol. Its IUPAC name is N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline
PubChem CID10871167
Molecular FormulaC19H15F3N2
Molecular Weight328.34 g/mol
Exact Mass328.12
IUPAC NameN-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline
SMILESFC(F)(F)c1cccc(NC(c2ccccc2)c2ccncc2)c1
InChIInChI=1S/C19H15F3N2/c20-19(21,22)16-7-4-8-17(13-16)24-18(14-5-2-1-3-6-14)15-9-11-23-12-10-15/h1-13,18,24H
InChIKeyZZEGKCBPEHPZOK-UHFFFAOYSA-N
XLogP5.30
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.34
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The IUPAC name of N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline (CID 10871167) is N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The canonical SMILES for N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline is FC(F)(F)c1cccc(NC(c2ccccc2)c2ccncc2)c1.
What is the InChIKey of N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline?
The InChIKey is ZZEGKCBPEHPZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2/c20-19(21,22)16-7-4-8-17(13-16)24-18(14-5-2-1-3-6-14)15-9-11-23-12-10-15/h1-13,18,24H.
What are the key properties of N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline?
N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline has a molecular weight of 328.34 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[phenyl(pyridin-4-yl)methyl]-3-(trifluoromethyl)aniline is sourced from PubChem (CID 10871167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).