2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile

C11H14N2O3 — CID 62586957

IUPAC2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)NCCO)ccc1O
InChIInChI=1S/C11H14N2O3/c1-16-11-6-8(2-3-10(11)15)9(7-12)13-4-5-14/h2-3,6,9,13-15H,4-5H2,1H3
InChIKeyVXAKGWMCHUNIFP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.55
Rot. Bonds5

About 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile

2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile (PubChem CID 62586957) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
PubChem CID62586957
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
SMILESCOc1cc(C(C#N)NCCO)ccc1O
InChIInChI=1S/C11H14N2O3/c1-16-11-6-8(2-3-10(11)15)9(7-12)13-4-5-14/h2-3,6,9,13-15H,4-5H2,1H3
InChIKeyVXAKGWMCHUNIFP-UHFFFAOYSA-N
XLogP0.55
TPSA85.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile 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

2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
CID 43115252
2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 84817786
3-[[cyano-(4-hydroxy-3-methoxyphenyl)methyl]amino]propanoic acid
CID 84817493
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetonitrile
CID 62541333
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(4-fluoro-3-methylphenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 62587497
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(propylamino)acetonitrile
CID 43115215
2-(2-hydroxyethylamino)-2-(4-propan-2-yloxyphenyl)acetonitrile
CID 62586059
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile (CID 62586957) is 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile is COc1cc(C(C#N)NCCO)ccc1O.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
The InChIKey is VXAKGWMCHUNIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11-6-8(2-3-10(11)15)9(7-12)13-4-5-14/h2-3,6,9,13-15H,4-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile?
2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile has a molecular weight of 222.24 g/mol, XLogP of 0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile is sourced from PubChem (CID 62586957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).