2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile

C15H14N2O — CID 54887489

IUPAC2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cccc(O)c1
InChIInChI=1S/C15H14N2O/c1-11-5-2-3-8-14(11)17-15(10-16)12-6-4-7-13(18)9-12/h2-9,15,17-18H,1H3
InChIKeyMUGPAPNSPAPXHL-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.38
Rot. Bonds3

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

2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile (PubChem CID 54887489) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
PubChem CID54887489
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile
SMILESCc1ccccc1NC(C#N)c1cccc(O)c1
InChIInChI=1S/C15H14N2O/c1-11-5-2-3-8-14(11)17-15(10-16)12-6-4-7-13(18)9-12/h2-9,15,17-18H,1H3
InChIKeyMUGPAPNSPAPXHL-UHFFFAOYSA-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

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Related Compounds

2-anilino-2-(3-hydroxyphenyl)acetonitrile
CID 2771792
2-(3-cyclopropylphenyl)-2-(2-methylanilino)acetonitrile
CID 79984649
2-(3,4-dichlorophenyl)-2-(2-methylanilino)acetonitrile
CID 54887307
2-(3-chloroanilino)-2-(3-hydroxyphenyl)acetonitrile
CID 54887017
2-(2-methylanilino)-2-(1-methyl-2,3-dihydroindol-5-yl)acetonitrile
CID 62097595
(2R)-2-(2-hydroxyanilino)-2-(2-methylphenyl)acetonitrile
CID 100954414
2-(2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 54886939
2-(butylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 84816576
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-[[cyano-(3-hydroxyphenyl)methyl]amino]acetic acid
CID 84816456
2-(7-chloro-1,3-benzodioxol-5-yl)-2-(2-methylanilino)acetonitrile
CID 60990498
2-(3-hydroxy-4-methoxyphenyl)-2-(2-methoxyanilino)acetonitrile
CID 61005779

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile?
The IUPAC name of 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile (CID 54887489) is 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile.
What is the SMILES notation for 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile?
The canonical SMILES for 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile is Cc1ccccc1NC(C#N)c1cccc(O)c1.
What is the InChIKey of 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile?
The InChIKey is MUGPAPNSPAPXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11-5-2-3-8-14(11)17-15(10-16)12-6-4-7-13(18)9-12/h2-9,15,17-18H,1H3.
What are the key properties of 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile?
2-(3-hydroxyphenyl)-2-(2-methylanilino)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 2-(3-hydroxyphenyl)-2-(2-methylanilino)acetonitrile is sourced from PubChem (CID 54887489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).