(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile

C22H20N2 — CID 71293872

IUPAC(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc([C@H](C#N)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-18(15-13-17)21(16-23)24-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21-22,24H,1H3/t21-/m0/s1
InChIKeyFADVAXGZUTYZMH-NRFANRHFSA-N
MW312.42 g/mol
LogP4.94
Rot. Bonds5

About (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile

(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile (PubChem CID 71293872) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
PubChem CID71293872
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
SMILESCc1ccc([C@H](C#N)NC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C22H20N2/c1-17-12-14-18(15-13-17)21(16-23)24-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21-22,24H,1H3/t21-/m0/s1
InChIKeyFADVAXGZUTYZMH-NRFANRHFSA-N
XLogP4.94
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[bis(4-methoxyphenyl)methylamino]-2-phenylacetonitrile
CID 101059199
2-(benzylamino)-2-(4-methylphenyl)acetonitrile
CID 15852212
(2S)-2-(methylamino)-2-phenylacetonitrile
CID 28518542
N-[cyano(phenyl)methyl]-4-methylbenzamide
CID 10399858
(2S)-2-(benzhydrylamino)-2-(1,3-benzodioxol-5-yl)acetonitrile
CID 101483032
(2R)-2-(benzhydrylamino)-2-(furan-2-yl)acetonitrile
CID 11818553
2-(benzhydrylamino)-2-(2-fluorophenyl)acetonitrile
CID 59412400
2-(4-methylphenyl)-3-phenylbutanenitrile
CID 82140186
2-(4-methoxyphenyl)-2-[[(1S)-1-phenylethyl]amino]acetonitrile;hydrochloride
CID 11845550
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
[(R)-cyano(phenyl)methyl]carbamic acid
CID 90107575
2-(4-methylphenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354695

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile?
The IUPAC name of (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile (CID 71293872) is (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile?
The canonical SMILES for (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile is Cc1ccc([C@H](C#N)NC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile?
The InChIKey is FADVAXGZUTYZMH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20N2/c1-17-12-14-18(15-13-17)21(16-23)24-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-15,21-22,24H,1H3/t21-/m0/s1.
What are the key properties of (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile?
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile has a molecular weight of 312.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile is sourced from PubChem (CID 71293872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).