(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile

C14H12N2O — CID 93003138

IUPAC(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
SMILESN#C[C@H](Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H/t14-/m0/s1
InChIKeyVBMXIXLPVQUNHY-AWEZNQCLSA-N
MW224.26 g/mol
LogP3.07
Rot. Bonds3

About (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile

(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile (PubChem CID 93003138) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
PubChem CID93003138
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
SMILESN#C[C@H](Nc1ccccc1)c1ccc(O)cc1
InChIInChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H/t14-/m0/s1
InChIKeyVBMXIXLPVQUNHY-AWEZNQCLSA-N
XLogP3.07
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
(2S)-2-anilino-2-(4-methoxyphenyl)acetonitrile
CID 899635
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
(2S)-2-phenyl-2-[4-(trifluoromethyl)anilino]acetonitrile
CID 6925354
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339
4-[[(4-hydroxyphenyl)-phenylmethyl]amino]benzonitrile
CID 43826622
2-anilino-2-(3,4,5-trimethoxyphenyl)acetonitrile
CID 102470175
2-(3-methylsulfanylanilino)-2-phenylacetonitrile
CID 2732691

Frequently Asked Questions

What is the IUPAC name of (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The IUPAC name of (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile (CID 93003138) is (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The canonical SMILES for (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile is N#C[C@H](Nc1ccccc1)c1ccc(O)cc1.
What is the InChIKey of (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile?
The InChIKey is VBMXIXLPVQUNHY-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-14(11-6-8-13(17)9-7-11)16-12-4-2-1-3-5-12/h1-9,14,16-17H/t14-/m0/s1.
What are the key properties of (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile?
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 93003138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).