4-[(4-fluorophenyl)methylamino]benzonitrile

C14H11FN2 — CID 22353725

IUPAC4-[(4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,17H,10H2
InChIKeyAJLGVSFYTZKABN-UHFFFAOYSA-N
MW226.25 g/mol
LogP3.31
Rot. Bonds3

About 4-[(4-fluorophenyl)methylamino]benzonitrile

4-[(4-fluorophenyl)methylamino]benzonitrile (PubChem CID 22353725) has the molecular formula C14H11FN2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methylamino]benzonitrile.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methylamino]benzonitrile
PubChem CID22353725
Molecular FormulaC14H11FN2
Molecular Weight226.25 g/mol
Exact Mass226.09
IUPAC Name4-[(4-fluorophenyl)methylamino]benzonitrile
SMILESN#Cc1ccc(NCc2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,17H,10H2
InChIKeyAJLGVSFYTZKABN-UHFFFAOYSA-N
XLogP3.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
4-[(4-hydroxyanilino)methyl]benzonitrile
CID 43742708
4-(anilinomethyl)benzonitrile
CID 11148468
4-(1H-pyrrol-3-ylmethylamino)benzonitrile
CID 66407609
4-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]benzonitrile
CID 60965226
4-[2-(4-fluoroanilino)ethoxy]benzonitrile
CID 134030965
4-[(2-amino-5-fluoroanilino)methyl]benzonitrile
CID 62377489
4-[(2-chloro-4-fluoroanilino)methyl]benzonitrile
CID 28843551
3-amino-4-[(4-fluorophenyl)methylamino]benzonitrile
CID 43518027
4-fluoro-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 126204323
4-[[4-(1H-imidazol-5-yl)anilino]methyl]benzonitrile
CID 43722436
methyl 4-[(4-cyanophenyl)methylamino]benzoate
CID 43087792

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methylamino]benzonitrile?
The IUPAC name of 4-[(4-fluorophenyl)methylamino]benzonitrile (CID 22353725) is 4-[(4-fluorophenyl)methylamino]benzonitrile.
What is the SMILES notation for 4-[(4-fluorophenyl)methylamino]benzonitrile?
The canonical SMILES for 4-[(4-fluorophenyl)methylamino]benzonitrile is N#Cc1ccc(NCc2ccc(F)cc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methylamino]benzonitrile?
The InChIKey is AJLGVSFYTZKABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2/c15-13-5-1-12(2-6-13)10-17-14-7-3-11(9-16)4-8-14/h1-8,17H,10H2.
What are the key properties of 4-[(4-fluorophenyl)methylamino]benzonitrile?
4-[(4-fluorophenyl)methylamino]benzonitrile has a molecular weight of 226.25 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methylamino]benzonitrile is sourced from PubChem (CID 22353725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).