2-[(pyridin-2-ylmethylamino)methyl]phenol

C13H14N2O — CID 3924669

IUPAC2-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1ccccn1
InChIInChI=1S/C13H14N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-8,14,16H,9-10H2
InChIKeyQKSKEROUBXANPB-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.08
Rot. Bonds4

About 2-[(pyridin-2-ylmethylamino)methyl]phenol

2-[(pyridin-2-ylmethylamino)methyl]phenol (PubChem CID 3924669) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[(pyridin-2-ylmethylamino)methyl]phenol.

Molecular Properties

Compound Name2-[(pyridin-2-ylmethylamino)methyl]phenol
PubChem CID3924669
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[(pyridin-2-ylmethylamino)methyl]phenol
SMILESOc1ccccc1CNCc1ccccn1
InChIInChI=1S/C13H14N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-8,14,16H,9-10H2
InChIKeyQKSKEROUBXANPB-UHFFFAOYSA-N
XLogP2.08
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-[(pyridin-2-ylmethylamino)methyl]phenol 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-[(pyridin-2-ylmethylamino)methyl]phenol?
The IUPAC name of 2-[(pyridin-2-ylmethylamino)methyl]phenol (CID 3924669) is 2-[(pyridin-2-ylmethylamino)methyl]phenol.
What is the SMILES notation for 2-[(pyridin-2-ylmethylamino)methyl]phenol?
The canonical SMILES for 2-[(pyridin-2-ylmethylamino)methyl]phenol is Oc1ccccc1CNCc1ccccn1.
What is the InChIKey of 2-[(pyridin-2-ylmethylamino)methyl]phenol?
The InChIKey is QKSKEROUBXANPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-7-2-1-5-11(13)9-14-10-12-6-3-4-8-15-12/h1-8,14,16H,9-10H2.
What are the key properties of 2-[(pyridin-2-ylmethylamino)methyl]phenol?
2-[(pyridin-2-ylmethylamino)methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(pyridin-2-ylmethylamino)methyl]phenol is sourced from PubChem (CID 3924669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).