3-hydroxy-5-[2-(methylamino)propyl]benzonitrile

C11H14N2O — CID 131991659

IUPAC3-hydroxy-5-[2-(methylamino)propyl]benzonitrile
SMILESCNC(C)Cc1cc(O)cc(C#N)c1
InChIInChI=1S/C11H14N2O/c1-8(13-2)3-9-4-10(7-12)6-11(14)5-9/h4-6,8,13-14H,3H2,1-2H3
InChIKeyPLGZOFRGFVNGRB-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.41
Rot. Bonds3

About 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile

3-hydroxy-5-[2-(methylamino)propyl]benzonitrile (PubChem CID 131991659) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile.

Molecular Properties

Compound Name3-hydroxy-5-[2-(methylamino)propyl]benzonitrile
PubChem CID131991659
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-hydroxy-5-[2-(methylamino)propyl]benzonitrile
SMILESCNC(C)Cc1cc(O)cc(C#N)c1
InChIInChI=1S/C11H14N2O/c1-8(13-2)3-9-4-10(7-12)6-11(14)5-9/h4-6,8,13-14H,3H2,1-2H3
InChIKeyPLGZOFRGFVNGRB-UHFFFAOYSA-N
XLogP1.41
TPSA56.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile 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 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile?
The IUPAC name of 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile (CID 131991659) is 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile.
What is the SMILES notation for 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile?
The canonical SMILES for 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile is CNC(C)Cc1cc(O)cc(C#N)c1.
What is the InChIKey of 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile?
The InChIKey is PLGZOFRGFVNGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(13-2)3-9-4-10(7-12)6-11(14)5-9/h4-6,8,13-14H,3H2,1-2H3.
What are the key properties of 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile?
3-hydroxy-5-[2-(methylamino)propyl]benzonitrile has a molecular weight of 190.25 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5-[2-(methylamino)propyl]benzonitrile is sourced from PubChem (CID 131991659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).