(2S)-2-(benzylamino)-2-phenylacetonitrile

C15H14N2 — CID 10619409

IUPAC(2S)-2-(benzylamino)-2-phenylacetonitrile
SMILESN#C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,12H2/t15-/m1/s1
InChIKeyWSYPYLRSDUWYDD-OAHLLOKOSA-N
MW222.29 g/mol
LogP3.04
Rot. Bonds4

About (2S)-2-(benzylamino)-2-phenylacetonitrile

(2S)-2-(benzylamino)-2-phenylacetonitrile (PubChem CID 10619409) has the molecular formula C15H14N2 and a molecular weight of 222.29 g/mol. Its IUPAC name is (2S)-2-(benzylamino)-2-phenylacetonitrile.

Molecular Properties

Compound Name(2S)-2-(benzylamino)-2-phenylacetonitrile
PubChem CID10619409
Molecular FormulaC15H14N2
Molecular Weight222.29 g/mol
Exact Mass222.12
IUPAC Name(2S)-2-(benzylamino)-2-phenylacetonitrile
SMILESN#C[C@@H](NCc1ccccc1)c1ccccc1
InChIInChI=1S/C15H14N2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,12H2/t15-/m1/s1
InChIKeyWSYPYLRSDUWYDD-OAHLLOKOSA-N
XLogP3.04
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-2-(4-chlorophenyl)acetonitrile
CID 10716423
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
2-(benzylamino)-2-(3-fluorophenyl)acetonitrile
CID 10823953
(2R)-2-(benzylamino)-2-(4-nitrophenyl)acetonitrile
CID 134916798
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
N-benzyl-1-phenyl-3-trimethylsilylprop-2-yn-1-amine
CID 101180194
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680
(2R)-2-(benzylamino)propanenitrile
CID 28702462
2-(benzylamino)-2-(3-methylthiophen-2-yl)acetonitrile
CID 61346177
2-(benzylamino)-2-(4-ethoxy-3-methoxyphenyl)acetonitrile
CID 84816788
2-(benzylamino)-2-(5-bromo-2-fluorophenyl)acetonitrile
CID 54886867
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(benzylamino)-2-phenylacetonitrile?
The IUPAC name of (2S)-2-(benzylamino)-2-phenylacetonitrile (CID 10619409) is (2S)-2-(benzylamino)-2-phenylacetonitrile.
What is the SMILES notation for (2S)-2-(benzylamino)-2-phenylacetonitrile?
The canonical SMILES for (2S)-2-(benzylamino)-2-phenylacetonitrile is N#C[C@@H](NCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(benzylamino)-2-phenylacetonitrile?
The InChIKey is WSYPYLRSDUWYDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2/c16-11-15(14-9-5-2-6-10-14)17-12-13-7-3-1-4-8-13/h1-10,15,17H,12H2/t15-/m1/s1.
What are the key properties of (2S)-2-(benzylamino)-2-phenylacetonitrile?
(2S)-2-(benzylamino)-2-phenylacetonitrile has a molecular weight of 222.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(benzylamino)-2-phenylacetonitrile is sourced from PubChem (CID 10619409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).