(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile

C15H14N2O — CID 899635

IUPAC(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc([C@@H](C#N)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h2-10,15,17H,1H3/t15-/m1/s1
InChIKeyDQDYMQCJISFSMB-OAHLLOKOSA-N
MW238.29 g/mol
LogP3.37
Rot. Bonds4

About (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile

(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile (PubChem CID 899635) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
PubChem CID899635
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
SMILESCOc1ccc([C@@H](C#N)Nc2ccccc2)cc1
InChIInChI=1S/C15H14N2O/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h2-10,15,17H,1H3/t15-/m1/s1
InChIKeyDQDYMQCJISFSMB-OAHLLOKOSA-N
XLogP3.37
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
(2S)-2-(2-methoxyanilino)-2-(4-methoxyphenyl)acetonitrile
CID 936869
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
3-[cyano-(4-methoxyanilino)methyl]benzonitrile
CID 60987197
2-(3-chloro-4-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 65026574
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
2-(3-methoxyanilino)-2-(3-methoxyphenyl)acetonitrile
CID 60990435
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
CID 28699549
2-(3-fluoro-4-hydroxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 107686148

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile?
The IUPAC name of (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile (CID 899635) is (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile.
What is the SMILES notation for (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile?
The canonical SMILES for (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile is COc1ccc([C@@H](C#N)Nc2ccccc2)cc1.
What is the InChIKey of (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile?
The InChIKey is DQDYMQCJISFSMB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14N2O/c1-18-14-9-7-12(8-10-14)15(11-16)17-13-5-3-2-4-6-13/h2-10,15,17H,1H3/t15-/m1/s1.
What are the key properties of (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile?
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile is sourced from PubChem (CID 899635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).