2-[(4-hydroxyanilino)methyl]-4-methylphenol

C14H15NO2 — CID 55205511

IUPAC2-[(4-hydroxyanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO2/c1-10-2-7-14(17)11(8-10)9-15-12-3-5-13(16)6-4-12/h2-8,15-17H,9H2,1H3
InChIKeyJZENGWQJMAWRKQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.02
Rot. Bonds3

About 2-[(4-hydroxyanilino)methyl]-4-methylphenol

2-[(4-hydroxyanilino)methyl]-4-methylphenol (PubChem CID 55205511) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(4-hydroxyanilino)methyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(4-hydroxyanilino)methyl]-4-methylphenol
PubChem CID55205511
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(4-hydroxyanilino)methyl]-4-methylphenol
SMILESCc1ccc(O)c(CNc2ccc(O)cc2)c1
InChIInChI=1S/C14H15NO2/c1-10-2-7-14(17)11(8-10)9-15-12-3-5-13(16)6-4-12/h2-8,15-17H,9H2,1H3
InChIKeyJZENGWQJMAWRKQ-UHFFFAOYSA-N
XLogP3.02
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_OH_alk_A(8)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4-dimethylanilino)methyl]-4-methylphenol
CID 63323211
4-methyl-2-[(4-methylsulfonylanilino)methyl]phenol
CID 63323424
2-[[4-(diethylamino)anilino]methyl]-4-methylphenol
CID 63326694
methyl 4-[(2-hydroxy-5-methylphenyl)methylamino]benzoate
CID 63326548
2-[(4-butylanilino)methyl]-4-methylphenol
CID 63326661
2-[(3,5-difluoroanilino)methyl]-4-methylphenol
CID 63323682
[4-[(2-hydroxy-5-methylphenyl)methylamino]phenyl]methanesulfonamide
CID 63324512
2-[(3-methylanilino)methyl]benzene-1,4-diol
CID 82681028
2-[[(6-bromo-3-pyridinyl)amino]methyl]-4-methylphenol
CID 103934339
2-[4-[(2-hydroxy-5-methylphenyl)methylamino]phenoxy]acetonitrile
CID 63323564
2-[(3-fluoroanilino)methyl]-4-methylphenol
CID 63323256
4-methyl-2-[(1H-pyrazol-4-ylamino)methyl]phenol
CID 63326553

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxyanilino)methyl]-4-methylphenol?
The IUPAC name of 2-[(4-hydroxyanilino)methyl]-4-methylphenol (CID 55205511) is 2-[(4-hydroxyanilino)methyl]-4-methylphenol.
What is the SMILES notation for 2-[(4-hydroxyanilino)methyl]-4-methylphenol?
The canonical SMILES for 2-[(4-hydroxyanilino)methyl]-4-methylphenol is Cc1ccc(O)c(CNc2ccc(O)cc2)c1.
What is the InChIKey of 2-[(4-hydroxyanilino)methyl]-4-methylphenol?
The InChIKey is JZENGWQJMAWRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10-2-7-14(17)11(8-10)9-15-12-3-5-13(16)6-4-12/h2-8,15-17H,9H2,1H3.
What are the key properties of 2-[(4-hydroxyanilino)methyl]-4-methylphenol?
2-[(4-hydroxyanilino)methyl]-4-methylphenol has a molecular weight of 229.28 g/mol, XLogP of 3.02, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxyanilino)methyl]-4-methylphenol is sourced from PubChem (CID 55205511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).