2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile

C14H18N2O2 — CID 107709832

IUPAC2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile
SMILESN#CC(COc1ccc(CCO)cc1)NC1CC1
InChIInChI=1S/C14H18N2O2/c15-9-13(16-12-3-4-12)10-18-14-5-1-11(2-6-14)7-8-17/h1-2,5-6,12-13,16-17H,3-4,7-8,10H2
InChIKeyIFKWVTYFIJPCBV-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.24
Rot. Bonds7

About 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile

2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile (PubChem CID 107709832) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile.

Molecular Properties

Compound Name2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile
PubChem CID107709832
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile
SMILESN#CC(COc1ccc(CCO)cc1)NC1CC1
InChIInChI=1S/C14H18N2O2/c15-9-13(16-12-3-4-12)10-18-14-5-1-11(2-6-14)7-8-17/h1-2,5-6,12-13,16-17H,3-4,7-8,10H2
InChIKeyIFKWVTYFIJPCBV-UHFFFAOYSA-N
XLogP1.24
TPSA65.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile?
The IUPAC name of 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile (CID 107709832) is 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile.
What is the SMILES notation for 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile?
The canonical SMILES for 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile is N#CC(COc1ccc(CCO)cc1)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile?
The InChIKey is IFKWVTYFIJPCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c15-9-13(16-12-3-4-12)10-18-14-5-1-11(2-6-14)7-8-17/h1-2,5-6,12-13,16-17H,3-4,7-8,10H2.
What are the key properties of 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile?
2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile has a molecular weight of 246.31 g/mol, XLogP of 1.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-3-[4-(2-hydroxyethyl)phenoxy]propanenitrile is sourced from PubChem (CID 107709832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).