2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile

C12H16N2O — CID 62585695

IUPAC2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1ccc(C(C#N)NCCO)c(C)c1
InChIInChI=1S/C12H16N2O/c1-9-3-4-11(10(2)7-9)12(8-13)14-5-6-15/h3-4,7,12,14-15H,5-6H2,1-2H3
InChIKeyRBAFNAWLPYGIIW-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.45
Rot. Bonds4

About 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile

2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile (PubChem CID 62585695) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
PubChem CID62585695
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1ccc(C(C#N)NCCO)c(C)c1
InChIInChI=1S/C12H16N2O/c1-9-3-4-11(10(2)7-9)12(8-13)14-5-6-15/h3-4,7,12,14-15H,5-6H2,1-2H3
InChIKeyRBAFNAWLPYGIIW-UHFFFAOYSA-N
XLogP1.45
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenyl)-2-(propylamino)acetonitrile
CID 43115225
2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889435
2-[2-(diethylamino)ethylamino]-2-(2,4-dimethylphenyl)acetonitrile
CID 54889345
2-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54892774
2-(cyclopropylmethylamino)-2-(2,4-dimethylphenyl)acetonitrile
CID 60997224
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
3-[1-(2,4-dimethylphenyl)ethylamino]propan-1-ol
CID 43206550
1-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)ethanol
CID 82313394
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
CID 79583604
2-(2,4-dimethylphenyl)-2-(3-fluoro-5-methylanilino)acetonitrile
CID 79055219
3-amino-2-(2,4-dimethylphenyl)propanenitrile
CID 82503365

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The IUPAC name of 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile (CID 62585695) is 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The canonical SMILES for 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile is Cc1ccc(C(C#N)NCCO)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
The InChIKey is RBAFNAWLPYGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-3-4-11(10(2)7-9)12(8-13)14-5-6-15/h3-4,7,12,14-15H,5-6H2,1-2H3.
What are the key properties of 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile?
2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile has a molecular weight of 204.27 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-2-(2-hydroxyethylamino)acetonitrile is sourced from PubChem (CID 62585695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).