(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile

C11H14N2O — CID 130778686

IUPAC(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile
SMILESCc1cc(C)c(O)c([C@@](C)(N)C#N)c1
InChIInChI=1S/C11H14N2O/c1-7-4-8(2)10(14)9(5-7)11(3,13)6-12/h4-5,14H,13H2,1-3H3/t11-/m0/s1
InChIKeyVNZHSQOPMKWSMH-NSHDSACASA-N
MW190.25 g/mol
LogP1.71
Rot. Bonds1

About (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile

(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile (PubChem CID 130778686) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile
PubChem CID130778686
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile
SMILESCc1cc(C)c(O)c([C@@](C)(N)C#N)c1
InChIInChI=1S/C11H14N2O/c1-7-4-8(2)10(14)9(5-7)11(3,13)6-12/h4-5,14H,13H2,1-3H3/t11-/m0/s1
InChIKeyVNZHSQOPMKWSMH-NSHDSACASA-N
XLogP1.71
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-(2,4,6-trimethylphenyl)propanenitrile
CID 30115564
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
2-[(2S)-2-aminobutan-2-yl]-4,6-dimethylphenol
CID 130666373
2-amino-2-(2-methoxy-5-methylphenyl)propanenitrile
CID 16794194
(2R)-2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130714816
2-amino-2-(2,5-difluoro-4-methylphenyl)propanenitrile
CID 130059435
2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4,6-dimethylphenol
CID 118535872
2-tert-butyl-4,6-dimethylphenol;2,6-ditert-butyl-4-ethylphenol;2,6-ditert-butyl-4-methylphenol
CID 161122841
2-amino-2-(4-ethoxy-2,5-dimethylphenyl)propanenitrile
CID 82127377
2-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4,6-dimethylphenol
CID 59187830
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile?
The IUPAC name of (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile (CID 130778686) is (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile.
What is the SMILES notation for (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile?
The canonical SMILES for (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile is Cc1cc(C)c(O)c([C@@](C)(N)C#N)c1.
What is the InChIKey of (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile?
The InChIKey is VNZHSQOPMKWSMH-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-4-8(2)10(14)9(5-7)11(3,13)6-12/h4-5,14H,13H2,1-3H3/t11-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile?
(2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile has a molecular weight of 190.25 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-hydroxy-3,5-dimethylphenyl)propanenitrile is sourced from PubChem (CID 130778686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).