2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile

C10H12N2O — CID 130061052

IUPAC2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
SMILESCCc1ccc(O)c(C(N)C#N)c1
InChIInChI=1S/C10H12N2O/c1-2-7-3-4-10(13)8(5-7)9(12)6-11/h3-5,9,13H,2,12H2,1H3
InChIKeyOJEDSWSRTNEADI-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.48
Rot. Bonds2

About 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile

2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile (PubChem CID 130061052) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
PubChem CID130061052
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile
SMILESCCc1ccc(O)c(C(N)C#N)c1
InChIInChI=1S/C10H12N2O/c1-2-7-3-4-10(13)8(5-7)9(12)6-11/h3-5,9,13H,2,12H2,1H3
InChIKeyOJEDSWSRTNEADI-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
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

2-(5-ethyl-2-hydroxyphenyl)butanenitrile
CID 130134665
4-ethyl-2-[(5-ethyl-2-hydroxyphenyl)-phenylmethyl]phenol
CID 23019029
2-[amino-(5-ethyl-2-methoxyphenyl)methyl]-3-methylbutanenitrile
CID 116946337
(2R)-2-amino-2-(2-hydroxy-4-methylphenyl)acetonitrile
CID 131172092
(2S)-2-amino-2-(3-ethyl-2-hydroxyphenyl)acetonitrile
CID 130707253
2-amino-2-(4-propylphenyl)acetonitrile
CID 90203158
(2-hydroxy-5-propylphenyl)methanediol
CID 139434284
2-(4-cyanoanilino)-2-(5-ethyl-2-hydroxyphenyl)acetic acid
CID 22038965
(5-ethyl-2-hydroxyphenyl)boronic acid
CID 18617035
(2R)-2-amino-2-[4-(2-methylpropyl)phenyl]acetonitrile
CID 130986917
2-[1-[2-hydroxy-3-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-5-propylphenyl]ethyl]-6-[1-[2-hydroxy-3-[1-(2-hydroxy-5-propylphenyl)ethyl]-5-propylphenyl]ethyl]-4-propylphenol
CID 23156036
(2S)-2-amino-2-(5-ethyl-2-pyridinyl)acetonitrile
CID 129389482

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile?
The IUPAC name of 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile (CID 130061052) is 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile.
What is the SMILES notation for 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile?
The canonical SMILES for 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile is CCc1ccc(O)c(C(N)C#N)c1.
What is the InChIKey of 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile?
The InChIKey is OJEDSWSRTNEADI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-3-4-10(13)8(5-7)9(12)6-11/h3-5,9,13H,2,12H2,1H3.
What are the key properties of 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile?
2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(5-ethyl-2-hydroxyphenyl)acetonitrile is sourced from PubChem (CID 130061052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).