N-benzyl-2-phenyl-5-(trifluoromethyl)aniline

C20H16F3N — CID 135074021

IUPACN-benzyl-2-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(-c2ccccc2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H16F3N/c21-20(22,23)17-11-12-18(16-9-5-2-6-10-16)19(13-17)24-14-15-7-3-1-4-8-15/h1-13,24H,14H2
InChIKeyNUTHPVGIGZSKKB-UHFFFAOYSA-N
MW327.35 g/mol
LogP5.98
Rot. Bonds4

About N-benzyl-2-phenyl-5-(trifluoromethyl)aniline

N-benzyl-2-phenyl-5-(trifluoromethyl)aniline (PubChem CID 135074021) has the molecular formula C20H16F3N and a molecular weight of 327.35 g/mol. Its IUPAC name is N-benzyl-2-phenyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-benzyl-2-phenyl-5-(trifluoromethyl)aniline
PubChem CID135074021
Molecular FormulaC20H16F3N
Molecular Weight327.35 g/mol
Exact Mass327.12
IUPAC NameN-benzyl-2-phenyl-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(-c2ccccc2)c(NCc2ccccc2)c1
InChIInChI=1S/C20H16F3N/c21-20(22,23)17-11-12-18(16-9-5-2-6-10-16)19(13-17)24-14-15-7-3-1-4-8-15/h1-13,24H,14H2
InChIKeyNUTHPVGIGZSKKB-UHFFFAOYSA-N
XLogP5.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.35
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-phenyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-benzyl-2-phenyl-5-(trifluoromethyl)aniline (CID 135074021) is N-benzyl-2-phenyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-benzyl-2-phenyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-benzyl-2-phenyl-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(-c2ccccc2)c(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-2-phenyl-5-(trifluoromethyl)aniline?
The InChIKey is NUTHPVGIGZSKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N/c21-20(22,23)17-11-12-18(16-9-5-2-6-10-16)19(13-17)24-14-15-7-3-1-4-8-15/h1-13,24H,14H2.
What are the key properties of N-benzyl-2-phenyl-5-(trifluoromethyl)aniline?
N-benzyl-2-phenyl-5-(trifluoromethyl)aniline has a molecular weight of 327.35 g/mol, XLogP of 5.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-phenyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 135074021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).