2-anilino-2-(3-hydroxyphenyl)acetonitrile

C14H12N2O — CID 2771792

IUPAC2-anilino-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H12N2O/c15-10-14(11-5-4-8-13(17)9-11)16-12-6-2-1-3-7-12/h1-9,14,16-17H
InChIKeyKDZOTVHBVVFYNK-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.07
Rot. Bonds3

About 2-anilino-2-(3-hydroxyphenyl)acetonitrile

2-anilino-2-(3-hydroxyphenyl)acetonitrile (PubChem CID 2771792) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-anilino-2-(3-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-anilino-2-(3-hydroxyphenyl)acetonitrile
PubChem CID2771792
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name2-anilino-2-(3-hydroxyphenyl)acetonitrile
SMILESN#CC(Nc1ccccc1)c1cccc(O)c1
InChIInChI=1S/C14H12N2O/c15-10-14(11-5-4-8-13(17)9-11)16-12-6-2-1-3-7-12/h1-9,14,16-17H
InChIKeyKDZOTVHBVVFYNK-UHFFFAOYSA-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-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
2-anilino-2-[3-(difluoromethyl)phenyl]acetonitrile
CID 115526966
(2R)-2-anilino-2-(4-hydroxyphenyl)acetonitrile
CID 93003138
2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
CID 54887489
2-anilino-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61212447
2-anilino-2-(3,4-difluorophenyl)acetonitrile
CID 54886668
2-(3-bromoanilino)-2-phenylacetonitrile
CID 54887440
2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
CID 84816456
(2S)-2-anilino-2-thiophen-3-ylacetonitrile
CID 40637942
2-anilino-2-(4-propan-2-ylphenyl)acetonitrile
CID 54886538
2-(3-methylsulfanylanilino)-2-phenylacetonitrile
CID 2732691
(2S)-2-(3,5-dichloroanilino)-2-phenylacetonitrile
CID 6925339

Frequently Asked Questions

What is the IUPAC name of 2-anilino-2-(3-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-anilino-2-(3-hydroxyphenyl)acetonitrile (CID 2771792) is 2-anilino-2-(3-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-anilino-2-(3-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-anilino-2-(3-hydroxyphenyl)acetonitrile is N#CC(Nc1ccccc1)c1cccc(O)c1.
What is the InChIKey of 2-anilino-2-(3-hydroxyphenyl)acetonitrile?
The InChIKey is KDZOTVHBVVFYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c15-10-14(11-5-4-8-13(17)9-11)16-12-6-2-1-3-7-12/h1-9,14,16-17H.
What are the key properties of 2-anilino-2-(3-hydroxyphenyl)acetonitrile?
2-anilino-2-(3-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 2-anilino-2-(3-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 2771792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).