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

C12H16N2O2 — CID 43115252

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H16N2O2/c1-3-6-14-10(8-13)9-4-5-11(15)12(7-9)16-2/h4-5,7,10,14-15H,3,6H2,1-2H3
InChIKeyOPJGZIKGSZFDOE-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.97
Rot. Bonds5

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

2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile (PubChem CID 43115252) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
PubChem CID43115252
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile
SMILESCCCNC(C#N)c1ccc(O)c(OC)c1
InChIInChI=1S/C12H16N2O2/c1-3-6-14-10(8-13)9-4-5-11(15)12(7-9)16-2/h4-5,7,10,14-15H,3,6H2,1-2H3
InChIKeyOPJGZIKGSZFDOE-UHFFFAOYSA-N
XLogP1.97
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-hydroxyethylamino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 62586957
2-(4-hydroxy-3-methoxyphenyl)-2-(3-methylbutylamino)acetonitrile
CID 84817786
3-[[cyano-(4-hydroxy-3-methoxyphenyl)methyl]amino]propanoic acid
CID 84817493
2-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(propylamino)acetonitrile
CID 43115215
2-(3-ethoxy-4-hydroxyphenyl)-2-(2-methoxyethylamino)acetonitrile
CID 62541333
2-(4-hydroxy-3-methoxyphenyl)-2-(4-methoxyanilino)acetonitrile
CID 60987304
2-(4-fluoroanilino)-2-(4-hydroxy-3-methoxyphenyl)acetonitrile
CID 60986867
2-(2-hydroxyethylamino)-2-(4-methoxy-3-methylphenyl)acetonitrile
CID 62587499
2-(3,4-dimethoxyphenyl)-2-(3-ethoxypropylamino)acetonitrile
CID 84817434
2-(4-fluoro-3-methylphenyl)-2-(propylamino)acetonitrile
CID 62121158
2-(4-fluorophenyl)-2-(propylamino)acetonitrile
CID 43115180
2-(3-chloro-4-methoxyphenyl)-2-(3-hydroxypropylamino)acetonitrile
CID 65026803

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile (CID 43115252) is 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile is CCCNC(C#N)c1ccc(O)c(OC)c1.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile?
The InChIKey is OPJGZIKGSZFDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-6-14-10(8-13)9-4-5-11(15)12(7-9)16-2/h4-5,7,10,14-15H,3,6H2,1-2H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile?
2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile has a molecular weight of 220.27 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-2-(propylamino)acetonitrile is sourced from PubChem (CID 43115252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).