3-[(2-methyl-3-pyridinyl)methylamino]phenol

C13H14N2O — CID 99790074

IUPAC3-[(2-methyl-3-pyridinyl)methylamino]phenol
SMILESCc1ncccc1CNc1cccc(O)c1
InChIInChI=1S/C13H14N2O/c1-10-11(4-3-7-14-10)9-15-12-5-2-6-13(16)8-12/h2-8,15-16H,9H2,1H3
InChIKeyNCAFPGRJVPGNAK-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.71
Rot. Bonds3

About 3-[(2-methyl-3-pyridinyl)methylamino]phenol

3-[(2-methyl-3-pyridinyl)methylamino]phenol (PubChem CID 99790074) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-[(2-methyl-3-pyridinyl)methylamino]phenol.

Molecular Properties

Compound Name3-[(2-methyl-3-pyridinyl)methylamino]phenol
PubChem CID99790074
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-[(2-methyl-3-pyridinyl)methylamino]phenol
SMILESCc1ncccc1CNc1cccc(O)c1
InChIInChI=1S/C13H14N2O/c1-10-11(4-3-7-14-10)9-15-12-5-2-6-13(16)8-12/h2-8,15-16H,9H2,1H3
InChIKeyNCAFPGRJVPGNAK-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

Analyze 3-[(2-methyl-3-pyridinyl)methylamino]phenol with MolForge

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

Launch Full Analysis

Related Compounds

3-methyl-N-[(2-methyl-3-pyridinyl)methyl]aniline
CID 115671114
3-[(2-methylphenyl)methylamino]phenol
CID 28722272
N-[(2-methyl-3-pyridinyl)methyl]pyridin-3-amine
CID 115692632
3-[(3-amino-2-pyridinyl)methylamino]phenol
CID 105468639
3-[(2,3-difluorophenyl)methylamino]phenol
CID 63667379
3-[(5-methyl-2-pyridinyl)methylamino]phenol
CID 81311516
N-[(2-methyl-3-pyridinyl)methyl]pyridin-2-amine
CID 115692595
3-[(1-methylimidazol-2-yl)methylamino]phenol
CID 62355871
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
2-[[(2-methyl-3-pyridinyl)amino]methyl]phenol
CID 79042521
3-[(2,4,6-trimethylphenyl)methylamino]phenol
CID 28722294
3-[(3-hydroxyanilino)methyl]phenol
CID 21321439

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-3-pyridinyl)methylamino]phenol?
The IUPAC name of 3-[(2-methyl-3-pyridinyl)methylamino]phenol (CID 99790074) is 3-[(2-methyl-3-pyridinyl)methylamino]phenol.
What is the SMILES notation for 3-[(2-methyl-3-pyridinyl)methylamino]phenol?
The canonical SMILES for 3-[(2-methyl-3-pyridinyl)methylamino]phenol is Cc1ncccc1CNc1cccc(O)c1.
What is the InChIKey of 3-[(2-methyl-3-pyridinyl)methylamino]phenol?
The InChIKey is NCAFPGRJVPGNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-11(4-3-7-14-10)9-15-12-5-2-6-13(16)8-12/h2-8,15-16H,9H2,1H3.
What are the key properties of 3-[(2-methyl-3-pyridinyl)methylamino]phenol?
3-[(2-methyl-3-pyridinyl)methylamino]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 3-[(2-methyl-3-pyridinyl)methylamino]phenol is sourced from PubChem (CID 99790074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).