(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile

C9H10N2O — CID 131172092

IUPAC(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
SMILESCc1ccc([C@@H](N)C#N)c(O)c1
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(8(11)5-10)9(12)4-6/h2-4,8,12H,11H2,1H3/t8-/m0/s1
InChIKeyBIDLGVAERDDPFJ-QMMMGPOBSA-N
MW162.19 g/mol
LogP1.22
Rot. Bonds1

About (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile

(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile (PubChem CID 131172092) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
PubChem CID131172092
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
SMILESCc1ccc([C@@H](N)C#N)c(O)c1
InChIInChI=1S/C9H10N2O/c1-6-2-3-7(8(11)5-10)9(12)4-6/h2-4,8,12H,11H2,1H3/t8-/m0/s1
InChIKeyBIDLGVAERDDPFJ-QMMMGPOBSA-N
XLogP1.22
TPSA70.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.22
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-bromo-4-methylphenyl)acetonitrile
CID 130055180
2-amino-2-(2-fluoro-4-methylphenyl)acetonitrile
CID 130060116
2-(1-amino-2-methylpropyl)-5-methylphenol
CID 55283226
2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-(1-amino-2,2-dimethylpropyl)-5-methylphenol
CID 130043389
5-methyl-2-propan-2-ylphenol;zinc
CID 160855786
cobalt;bis(5-methyl-2-propan-2-ylphenol)
CID 156896903
bis(5-methyl-2-propan-2-ylphenol);dihydroiodide
CID 69164517
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171250488
2-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-5-methylphenol
CID 131423163
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-5-methylphenol;hydrochloride
CID 171243758

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile (CID 131172092) is (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile is Cc1ccc([C@@H](N)C#N)c(O)c1.
What is the InChIKey of (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile?
The InChIKey is BIDLGVAERDDPFJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-2-3-7(8(11)5-10)9(12)4-6/h2-4,8,12H,11H2,1H3/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile?
(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.22, 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-4-methylphenyl)acetonitrile is sourced from PubChem (CID 131172092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).