4-amino-3-methylphenol;4-(methylamino)phenol

C14H18N2O2 — CID 69014448

IUPAC4-amino-3-methylphenol;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.Cc1cc(O)ccc1N
InChIInChI=1S/2C7H9NO/c1-8-6-2-4-7(9)5-3-6;1-5-4-6(9)2-3-7(5)8/h2-5,8-9H,1H3;2-4,9H,8H2,1H3
InChIKeyGIJCQZPNLHKOSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.72
Rot. Bonds1

About 4-amino-3-methylphenol;4-(methylamino)phenol

4-amino-3-methylphenol;4-(methylamino)phenol (PubChem CID 69014448) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-amino-3-methylphenol;4-(methylamino)phenol.

Molecular Properties

Compound Name4-amino-3-methylphenol;4-(methylamino)phenol
PubChem CID69014448
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-amino-3-methylphenol;4-(methylamino)phenol
SMILESCNc1ccc(O)cc1.Cc1cc(O)ccc1N
InChIInChI=1S/2C7H9NO/c1-8-6-2-4-7(9)5-3-6;1-5-4-6(9)2-3-7(5)8/h2-5,8-9H,1H3;2-4,9H,8H2,1H3
InChIKeyGIJCQZPNLHKOSJ-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminophenol;2-methylbenzene-1,4-diamine
CID 160894868
4-[(4-amino-3-methylanilino)methyl]phenol
CID 23437192
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
4-(4-amino-3-methylphenoxy)phenol
CID 150102226
N'-(2-amino-5-methylphenyl)-N-(4-hydroxyphenyl)oxamide
CID 108502143
N-(4-acetamidophenyl)-2-amino-5-hydroxybenzamide
CID 107073912
4-hydroxy-N-[4-(methylamino)phenyl]benzamide
CID 91493666
2-amino-N-(4-fluoro-3-methylphenyl)-5-hydroxybenzamide
CID 107075174
[2-amino-5-(methylamino)phenyl]boronic acid
CID 68786537
3-amino-4-(4-methylanilino)phenol
CID 91593642
2,4-dimethylaniline;methanol
CID 70633605
methyl 4-[(2-amino-5-hydroxybenzoyl)amino]benzoate
CID 107074324

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methylphenol;4-(methylamino)phenol?
The IUPAC name of 4-amino-3-methylphenol;4-(methylamino)phenol (CID 69014448) is 4-amino-3-methylphenol;4-(methylamino)phenol.
What is the SMILES notation for 4-amino-3-methylphenol;4-(methylamino)phenol?
The canonical SMILES for 4-amino-3-methylphenol;4-(methylamino)phenol is CNc1ccc(O)cc1.Cc1cc(O)ccc1N.
What is the InChIKey of 4-amino-3-methylphenol;4-(methylamino)phenol?
The InChIKey is GIJCQZPNLHKOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO/c1-8-6-2-4-7(9)5-3-6;1-5-4-6(9)2-3-7(5)8/h2-5,8-9H,1H3;2-4,9H,8H2,1H3.
What are the key properties of 4-amino-3-methylphenol;4-(methylamino)phenol?
4-amino-3-methylphenol;4-(methylamino)phenol has a molecular weight of 246.31 g/mol, XLogP of 2.72, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methylphenol;4-(methylamino)phenol is sourced from PubChem (CID 69014448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).