2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

C13H14N2O — CID 572802

IUPAC2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2ccccc2O)c1
InChIInChI=1S/C13H14N2O/c1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyVQKDOWCHFDCYAG-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.71
Rot. Bonds3

About 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol

2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (PubChem CID 572802) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
PubChem CID572802
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
SMILESCc1ccnc(NCc2ccccc2O)c1
InChIInChI=1S/C13H14N2O/c1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)
InChIKeyVQKDOWCHFDCYAG-UHFFFAOYSA-N
XLogP2.71
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol (CID 572802) is 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is Cc1ccnc(NCc2ccccc2O)c1.
What is the InChIKey of 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
The InChIKey is VQKDOWCHFDCYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16/h2-8,16H,9H2,1H3,(H,14,15).
What are the key properties of 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol?
2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol has a molecular weight of 214.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-methyl-2-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 572802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).