3-amino-4-(4-methylanilino)phenol

C13H14N2O — CID 91593642

IUPAC3-amino-4-(4-methylanilino)phenol
SMILESCc1ccc(Nc2ccc(O)cc2N)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)15-13-7-6-11(16)8-12(13)14/h2-8,15-16H,14H2,1H3
InChIKeyUKJYTIWDBVOURG-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.03
Rot. Bonds2

About 3-amino-4-(4-methylanilino)phenol

3-amino-4-(4-methylanilino)phenol (PubChem CID 91593642) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-amino-4-(4-methylanilino)phenol.

Molecular Properties

Compound Name3-amino-4-(4-methylanilino)phenol
PubChem CID91593642
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-amino-4-(4-methylanilino)phenol
SMILESCc1ccc(Nc2ccc(O)cc2N)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)15-13-7-6-11(16)8-12(13)14/h2-8,15-16H,14H2,1H3
InChIKeyUKJYTIWDBVOURG-UHFFFAOYSA-N
XLogP3.03
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-hydrazinylphenol
CID 119000444
2-chloro-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 43148771
4-fluoro-5-iodo-2-N-(4-methylphenyl)benzene-1,2-diamine
CID 66101051
1-[4-(4-acetyl-2-aminoanilino)phenyl]ethanone
CID 82487575
1-N-(4-bromo-3-chlorophenyl)-4-methylbenzene-1,2-diamine
CID 107618565
4-fluoro-1-N-(6-methylnaphthalen-2-yl)benzene-1,2-diamine
CID 115124737
3-amino-4-(propylamino)phenol
CID 166450854
2-N-(4-aminophenyl)-4-methylbenzene-1,2-diamine;dihydrochloride
CID 70626485
8-amino-7-(4-aminoanilino)-5,10-dihydrophenazin-2-ol
CID 155329471
2-(4-hydroxyanilino)benzene-1,4-diol
CID 171920009
3-N-(4-methylphenyl)pyridine-3,4-diamine
CID 13441291
1-N-(3-fluoro-4-methoxyphenyl)-4-methylbenzene-1,2-diamine
CID 43380700

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-methylanilino)phenol?
The IUPAC name of 3-amino-4-(4-methylanilino)phenol (CID 91593642) is 3-amino-4-(4-methylanilino)phenol.
What is the SMILES notation for 3-amino-4-(4-methylanilino)phenol?
The canonical SMILES for 3-amino-4-(4-methylanilino)phenol is Cc1ccc(Nc2ccc(O)cc2N)cc1.
What is the InChIKey of 3-amino-4-(4-methylanilino)phenol?
The InChIKey is UKJYTIWDBVOURG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-4-10(5-3-9)15-13-7-6-11(16)8-12(13)14/h2-8,15-16H,14H2,1H3.
What are the key properties of 3-amino-4-(4-methylanilino)phenol?
3-amino-4-(4-methylanilino)phenol has a molecular weight of 214.27 g/mol, XLogP of 3.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-methylanilino)phenol is sourced from PubChem (CID 91593642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).