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

C17H18N2O — CID 28699549

IUPAC(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
SMILESCOc1ccc([C@@H](C#N)NCCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-20-16-9-7-15(8-10-16)17(13-18)19-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKeyPDZHAPUPTPALFO-QGZVFWFLSA-N
MW266.34 g/mol
LogP3.09
Rot. Bonds6

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

(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile (PubChem CID 28699549) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
PubChem CID28699549
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile
SMILESCOc1ccc([C@@H](C#N)NCCc2ccccc2)cc1
InChIInChI=1S/C17H18N2O/c1-20-16-9-7-15(8-10-16)17(13-18)19-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3/t17-/m1/s1
InChIKeyPDZHAPUPTPALFO-QGZVFWFLSA-N
XLogP3.09
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[3-[[(S)-cyano-(4-methoxyphenyl)methyl]amino]propylamino]-2-(4-methoxyphenyl)acetonitrile
CID 92533323
2-[2-(dimethylamino)ethylamino]-2-(4-methoxyphenyl)acetonitrile
CID 54889344
2-(2-phenylethylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 82020084
(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
methyl 2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetate
CID 82344726
2-(4-ethoxyphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetonitrile
CID 82019969
2-(4-chlorophenyl)-2-(3-phenylpropylamino)acetonitrile
CID 25155800
2-[(2-fluorophenyl)methylamino]-2-(4-methoxyphenyl)acetonitrile
CID 82019858
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
(2R)-N-[2-(4-methoxyphenyl)ethyl]-4-phenylbutan-2-amine
CID 7445911
1-(4-methoxyphenyl)-N-(2-phenylethyl)propan-2-amine
CID 43508719

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile (CID 28699549) is (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile is COc1ccc([C@@H](C#N)NCCc2ccccc2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile?
The InChIKey is PDZHAPUPTPALFO-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H18N2O/c1-20-16-9-7-15(8-10-16)17(13-18)19-12-11-14-5-3-2-4-6-14/h2-10,17,19H,11-12H2,1H3/t17-/m1/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile?
(2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile has a molecular weight of 266.34 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-2-(2-phenylethylamino)acetonitrile is sourced from PubChem (CID 28699549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).