5-amino-4-(2-hydroxyanilino)-2-methylphenol

C13H14N2O2 — CID 57133652

IUPAC5-amino-4-(2-hydroxyanilino)-2-methylphenol
SMILESCc1cc(Nc2ccccc2O)c(N)cc1O
InChIInChI=1S/C13H14N2O2/c1-8-6-11(9(14)7-13(8)17)15-10-4-2-3-5-12(10)16/h2-7,15-17H,14H2,1H3
InChIKeyYSYXMTLYOSUAFL-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.73
Rot. Bonds2

About 5-amino-4-(2-hydroxyanilino)-2-methylphenol

5-amino-4-(2-hydroxyanilino)-2-methylphenol (PubChem CID 57133652) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-amino-4-(2-hydroxyanilino)-2-methylphenol.

Molecular Properties

Compound Name5-amino-4-(2-hydroxyanilino)-2-methylphenol
PubChem CID57133652
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-amino-4-(2-hydroxyanilino)-2-methylphenol
SMILESCc1cc(Nc2ccccc2O)c(N)cc1O
InChIInChI=1S/C13H14N2O2/c1-8-6-11(9(14)7-13(8)17)15-10-4-2-3-5-12(10)16/h2-7,15-17H,14H2,1H3
InChIKeyYSYXMTLYOSUAFL-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(2-hydroxyanilino)-2-methylphenol
CID 57106055
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
5-amino-4-[4-[bis(2-hydroxyethyl)amino]anilino]-2-methylphenol
CID 54295134
4-amino-2-(2,5-diamino-4-methylanilino)phenol
CID 118867539
2-amino-5-methylbenzene-1,4-diol
CID 14549398
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
2-N-(2,3-difluorophenyl)-4,5-dimethylbenzene-1,2-diamine
CID 114281232
1-N-[2-(dimethylamino)phenyl]-4-fluoro-5-methylbenzene-1,2-diamine
CID 106759459
5-amino-3-(2-hydroxyanilino)-2-methoxyphenol
CID 91231485
2-(2-tert-butyl-5-methylanilino)phenol
CID 69284004
5-amino-4-fluoro-2-methylphenol
CID 10154098
2-N-(2,4-dimethylphenyl)benzene-1,2-diamine
CID 29067178

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2-hydroxyanilino)-2-methylphenol?
The IUPAC name of 5-amino-4-(2-hydroxyanilino)-2-methylphenol (CID 57133652) is 5-amino-4-(2-hydroxyanilino)-2-methylphenol.
What is the SMILES notation for 5-amino-4-(2-hydroxyanilino)-2-methylphenol?
The canonical SMILES for 5-amino-4-(2-hydroxyanilino)-2-methylphenol is Cc1cc(Nc2ccccc2O)c(N)cc1O.
What is the InChIKey of 5-amino-4-(2-hydroxyanilino)-2-methylphenol?
The InChIKey is YSYXMTLYOSUAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-6-11(9(14)7-13(8)17)15-10-4-2-3-5-12(10)16/h2-7,15-17H,14H2,1H3.
What are the key properties of 5-amino-4-(2-hydroxyanilino)-2-methylphenol?
5-amino-4-(2-hydroxyanilino)-2-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2-hydroxyanilino)-2-methylphenol is sourced from PubChem (CID 57133652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).