2-(benzylamino)-2-(3-fluorophenyl)acetonitrile

C15H13FN2 — CID 10823953

IUPAC2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C15H13FN2/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h1-9,15,18H,11H2
InChIKeyIAOVCPFQUKLNDK-UHFFFAOYSA-N
MW240.28 g/mol
LogP3.18
Rot. Bonds4

About 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile

2-(benzylamino)-2-(3-fluorophenyl)acetonitrile (PubChem CID 10823953) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
PubChem CID10823953
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
SMILESN#CC(NCc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C15H13FN2/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h1-9,15,18H,11H2
InChIKeyIAOVCPFQUKLNDK-UHFFFAOYSA-N
XLogP3.18
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[[cyano-(3-fluorophenyl)methyl]amino]methyl]benzoic acid
CID 84817668
(2S)-2-(benzylamino)-2-phenylacetonitrile
CID 10619409
(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
3-[(3-fluorophenyl)methylamino]-2-phenylpropanenitrile
CID 64537208
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(2-bromoanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887451
(2R)-2-(benzylamino)-2-(4-nitrophenyl)acetonitrile
CID 134916798
2-(2-chloroanilino)-2-(3-fluorophenyl)acetonitrile
CID 54887260
2-(benzylamino)-2-(4-ethoxy-3-methoxyphenyl)acetonitrile
CID 84816788
2-[(4-chlorophenyl)methylamino]-2-(4-fluorophenyl)acetonitrile
CID 82019785
N-[cyano(phenyl)methyl]-3-fluorobenzenesulfonamide
CID 60707589

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile?
The IUPAC name of 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile (CID 10823953) is 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile.
What is the SMILES notation for 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile?
The canonical SMILES for 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile is N#CC(NCc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile?
The InChIKey is IAOVCPFQUKLNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-14-8-4-7-13(9-14)15(10-17)18-11-12-5-2-1-3-6-12/h1-9,15,18H,11H2.
What are the key properties of 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile?
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile has a molecular weight of 240.28 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-(3-fluorophenyl)acetonitrile is sourced from PubChem (CID 10823953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).