2-methyl-4-(pyridin-4-ylmethylamino)phenol

C13H14N2O — CID 53404095

IUPAC2-methyl-4-(pyridin-4-ylmethylamino)phenol
SMILESCc1cc(NCc2ccncc2)ccc1O
InChIInChI=1S/C13H14N2O/c1-10-8-12(2-3-13(10)16)15-9-11-4-6-14-7-5-11/h2-8,15-16H,9H2,1H3
InChIKeyYHOIODUIWOOWDL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.71
Rot. Bonds3

About 2-methyl-4-(pyridin-4-ylmethylamino)phenol

2-methyl-4-(pyridin-4-ylmethylamino)phenol (PubChem CID 53404095) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2-methyl-4-(pyridin-4-ylmethylamino)phenol.

Molecular Properties

Compound Name2-methyl-4-(pyridin-4-ylmethylamino)phenol
PubChem CID53404095
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2-methyl-4-(pyridin-4-ylmethylamino)phenol
SMILESCc1cc(NCc2ccncc2)ccc1O
InChIInChI=1S/C13H14N2O/c1-10-8-12(2-3-13(10)16)15-9-11-4-6-14-7-5-11/h2-8,15-16H,9H2,1H3
InChIKeyYHOIODUIWOOWDL-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': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-methyl-4-(pyridin-4-ylmethylamino)benzonitrile
CID 81274455
4-[(3-chloro-4-methylphenyl)methylamino]-2-methylphenol
CID 106817009
2-[3-(pyridin-4-ylmethylamino)phenyl]phenol
CID 142075907
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
1,2-dimethyl-N-(pyridin-4-ylmethyl)benzimidazol-5-amine
CID 3159773
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)aniline
CID 43678338
3-chloro-2-[(4-hydroxy-3-methylanilino)methyl]phenol
CID 113276536
2-bromo-4-[(4-bromo-3-methylanilino)methyl]phenol
CID 60962378
4-(4-hydroxy-3-methylanilino)-2-methylphenol
CID 67263150
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
2-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983118

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(pyridin-4-ylmethylamino)phenol?
The IUPAC name of 2-methyl-4-(pyridin-4-ylmethylamino)phenol (CID 53404095) is 2-methyl-4-(pyridin-4-ylmethylamino)phenol.
What is the SMILES notation for 2-methyl-4-(pyridin-4-ylmethylamino)phenol?
The canonical SMILES for 2-methyl-4-(pyridin-4-ylmethylamino)phenol is Cc1cc(NCc2ccncc2)ccc1O.
What is the InChIKey of 2-methyl-4-(pyridin-4-ylmethylamino)phenol?
The InChIKey is YHOIODUIWOOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10-8-12(2-3-13(10)16)15-9-11-4-6-14-7-5-11/h2-8,15-16H,9H2,1H3.
What are the key properties of 2-methyl-4-(pyridin-4-ylmethylamino)phenol?
2-methyl-4-(pyridin-4-ylmethylamino)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-methyl-4-(pyridin-4-ylmethylamino)phenol is sourced from PubChem (CID 53404095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).