(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile

C15H14N2O — CID 100954414

IUPAC(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1[C@H](C#N)Nc1ccccc1O
InChIInChI=1S/C15H14N2O/c1-11-6-2-3-7-12(11)14(10-16)17-13-8-4-5-9-15(13)18/h2-9,14,17-18H,1H3/t14-/m0/s1
InChIKeyHFLDXHLXYHTGLB-AWEZNQCLSA-N
MW238.29 g/mol
LogP3.38
Rot. Bonds3

About (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile

(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile (PubChem CID 100954414) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
PubChem CID100954414
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
SMILESCc1ccccc1[C@H](C#N)Nc1ccccc1O
InChIInChI=1S/C15H14N2O/c1-11-6-2-3-7-12(11)14(10-16)17-13-8-4-5-9-15(13)18/h2-9,14,17-18H,1H3/t14-/m0/s1
InChIKeyHFLDXHLXYHTGLB-AWEZNQCLSA-N
XLogP3.38
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489
N-[cyano-(2-methylphenyl)methyl]methanesulfonamide
CID 82114947
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-(2-hydroxyanilino)-3,3-dimethylbutanenitrile
CID 14639255
2-(benzylamino)-2-(2-methylphenyl)acetonitrile
CID 10490003
2-isoquinolin-4-yl-2-(2-methylanilino)acetonitrile
CID 104504207
2-(4-bromo-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887028
(2S)-N-[(R)-cyano-(2-methylphenyl)methyl]-2-methylbutanamide
CID 95172187
3-[[cyano-(2-methylphenyl)methyl]amino]propanoic acid
CID 84817498
2-(cyclopentylamino)-2-(2-methylphenyl)acetonitrile
CID 61002347
ethyl 2-[[cyano-(2-methylphenyl)methyl]amino]acetate
CID 112500735

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile?
The IUPAC name of (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile (CID 100954414) is (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile?
The canonical SMILES for (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile is Cc1ccccc1[C@H](C#N)Nc1ccccc1O.
What is the InChIKey of (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile?
The InChIKey is HFLDXHLXYHTGLB-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-6-2-3-7-12(11)14(10-16)17-13-8-4-5-9-15(13)18/h2-9,14,17-18H,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile?
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile has a molecular weight of 238.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile is sourced from PubChem (CID 100954414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).