2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol

C15H17NO3 — CID 83320633

IUPAC2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
SMILESCOc1cc(CNc2cc(C)ccc2O)ccc1O
InChIInChI=1S/C15H17NO3/c1-10-3-5-13(17)12(7-10)16-9-11-4-6-14(18)15(8-11)19-2/h3-8,16-18H,9H2,1-2H3
InChIKeyPGUVXWFTAYDQNY-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.03
Rot. Bonds4

About 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol

2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol (PubChem CID 83320633) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
PubChem CID83320633
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol
SMILESCOc1cc(CNc2cc(C)ccc2O)ccc1O
InChIInChI=1S/C15H17NO3/c1-10-3-5-13(17)12(7-10)16-9-11-4-6-14(18)15(8-11)19-2/h3-8,16-18H,9H2,1-2H3
InChIKeyPGUVXWFTAYDQNY-UHFFFAOYSA-N
XLogP3.03
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol 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

4-[(2-bromo-5-methylanilino)methyl]-2-methoxyphenol
CID 82762170
2-methoxy-4-[(4-methylanilino)methyl]phenol
CID 4093534
2-ethoxy-4-[(2-methoxy-4-methylanilino)methyl]phenol
CID 60931979
2-bromo-4-[(2-methoxy-5-methylanilino)methyl]phenol
CID 63046876
4-[(2-iodoanilino)methyl]-2-methoxyphenol
CID 28978282
4-[(5-bromo-2-methylanilino)methyl]-2-methoxyphenol
CID 43729448
4-[(3-hydroxy-4-methoxyanilino)methyl]-2-methoxyphenol
CID 43743646
4-[[(1-ethyl-3-methylpyrazol-4-yl)amino]methyl]-2-methoxyphenol
CID 19627604
2-methoxy-4-[[[(1S)-1-(4-methylphenyl)ethyl]amino]methyl]phenol
CID 81348669
2-methoxy-4-methyl-N-[(4-methylphenyl)methyl]aniline
CID 54865900
2-methoxy-4-[(3,4,5-trifluoroanilino)methyl]phenol
CID 62809836
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol?
The IUPAC name of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol (CID 83320633) is 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol?
The canonical SMILES for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol is COc1cc(CNc2cc(C)ccc2O)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol?
The InChIKey is PGUVXWFTAYDQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-10-3-5-13(17)12(7-10)16-9-11-4-6-14(18)15(8-11)19-2/h3-8,16-18H,9H2,1-2H3.
What are the key properties of 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol?
2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol has a molecular weight of 259.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxyphenyl)methylamino]-4-methylphenol is sourced from PubChem (CID 83320633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).