2-(benzylamino)-4-(trifluoromethyl)benzonitrile

C15H11F3N2 — CID 155452882

IUPAC2-(benzylamino)-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1NCc1ccccc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)13-7-6-12(9-19)14(8-13)20-10-11-4-2-1-3-5-11/h1-8,20H,10H2
InChIKeyCGCIYVGTULSTMG-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.19
Rot. Bonds3

About 2-(benzylamino)-4-(trifluoromethyl)benzonitrile

2-(benzylamino)-4-(trifluoromethyl)benzonitrile (PubChem CID 155452882) has the molecular formula C15H11F3N2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(benzylamino)-4-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name2-(benzylamino)-4-(trifluoromethyl)benzonitrile
PubChem CID155452882
Molecular FormulaC15H11F3N2
Molecular Weight276.26 g/mol
Exact Mass276.09
IUPAC Name2-(benzylamino)-4-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(C(F)(F)F)cc1NCc1ccccc1
InChIInChI=1S/C15H11F3N2/c16-15(17,18)13-7-6-12(9-19)14(8-13)20-10-11-4-2-1-3-5-11/h1-8,20H,10H2
InChIKeyCGCIYVGTULSTMG-UHFFFAOYSA-N
XLogP4.19
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-(Trifluoromethyl)phenyl)piperazine
CID 4296
N-(2-Cyanophenyl)piperazine
CID 2735875
N-(3-Methylphenyl)benzenemethanamine
CID 222281
Propanenitrile, 3-[(3-methylphenyl)amino]-
CID 119683
2-(Benzylamino)benzonitrile
CID 324787
3-(Trifluoromethyl)-N-phenylaniline
CID 7548
1-(2-(Trifluoromethyl)phenyl)piperazine
CID 2777670
1-(3-Cyanophenyl)piperazine
CID 11480902
N-(4-Fluorophenyl)-4-methylbenzylamine
CID 292877
N-((4-methylphenyl)methyl)aniline
CID 292893
2-[(1-Benzylpiperidin-4-yl)amino]-6-fluorobenzonitrile
CID 2804378
US9205085, Msx-183
CID 23656597

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-4-(trifluoromethyl)benzonitrile?
The IUPAC name of 2-(benzylamino)-4-(trifluoromethyl)benzonitrile (CID 155452882) is 2-(benzylamino)-4-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 2-(benzylamino)-4-(trifluoromethyl)benzonitrile?
The canonical SMILES for 2-(benzylamino)-4-(trifluoromethyl)benzonitrile is N#Cc1ccc(C(F)(F)F)cc1NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-4-(trifluoromethyl)benzonitrile?
The InChIKey is CGCIYVGTULSTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2/c16-15(17,18)13-7-6-12(9-19)14(8-13)20-10-11-4-2-1-3-5-11/h1-8,20H,10H2.
What are the key properties of 2-(benzylamino)-4-(trifluoromethyl)benzonitrile?
2-(benzylamino)-4-(trifluoromethyl)benzonitrile has a molecular weight of 276.26 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-4-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 155452882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).