3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile

C10H12N2O — CID 55282888

IUPAC3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile
SMILESCc1ccc(O)cc1C(N)CC#N
InChIInChI=1S/C10H12N2O/c1-7-2-3-8(13)6-9(7)10(12)4-5-11/h2-3,6,10,13H,4,12H2,1H3
InChIKeySUSPTOBZHCLHOR-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.61
Rot. Bonds2

About 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile

3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile (PubChem CID 55282888) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile.

Molecular Properties

Compound Name3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile
PubChem CID55282888
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile
SMILESCc1ccc(O)cc1C(N)CC#N
InChIInChI=1S/C10H12N2O/c1-7-2-3-8(13)6-9(7)10(12)4-5-11/h2-3,6,10,13H,4,12H2,1H3
InChIKeySUSPTOBZHCLHOR-UHFFFAOYSA-N
XLogP1.61
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-amino-3-(2-bromo-5-hydroxyphenyl)propanenitrile;hydrochloride
CID 171259937
(3S)-3-amino-3-(3-fluoro-2-hydroxy-4-methylphenyl)propanenitrile
CID 130665481
(3S)-3-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanenitrile
CID 131224612
(3S)-3-amino-3-(2-hydroxy-3-methylphenyl)propanenitrile
CID 130632734
(3R)-3-amino-3-(3-hydroxyphenyl)propanenitrile;hydrochloride
CID 171260279
(3S)-3-amino-3-(4-amino-5-fluoro-2-methylphenyl)propanenitrile
CID 131218935
(3R)-3-amino-3-(3-amino-2-hydroxy-5-methylphenyl)propanenitrile
CID 130679725
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propanenitrile;hydrochloride
CID 162344714
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
(3S)-3-amino-3-(4-methoxy-2-methylphenyl)propanenitrile
CID 131124943
(3R)-3-amino-3-(3-chloro-2-hydroxy-5-methylphenyl)propanenitrile
CID 131214165
(3S)-3-amino-3-(4,5-dimethylfuran-2-yl)propanenitrile
CID 131082143

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile?
The IUPAC name of 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile (CID 55282888) is 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile.
What is the SMILES notation for 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile?
The canonical SMILES for 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile is Cc1ccc(O)cc1C(N)CC#N.
What is the InChIKey of 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile?
The InChIKey is SUSPTOBZHCLHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-7-2-3-8(13)6-9(7)10(12)4-5-11/h2-3,6,10,13H,4,12H2,1H3.
What are the key properties of 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile?
3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile has a molecular weight of 176.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-hydroxy-2-methylphenyl)propanenitrile is sourced from PubChem (CID 55282888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).