6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol

C13H14N2O2 — CID 68596322

IUPAC6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol
SMILESCc1c(-c2ccc(N)c(O)c2)ccc(N)c1O
InChIInChI=1S/C13H14N2O2/c1-7-9(3-5-11(15)13(7)17)8-2-4-10(14)12(16)6-8/h2-6,16-17H,14-15H2,1H3
InChIKeyLIXNHKGAISRTOG-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.24
Rot. Bonds1

About 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol

6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol (PubChem CID 68596322) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol.

Molecular Properties

Compound Name6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol
PubChem CID68596322
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol
SMILESCc1c(-c2ccc(N)c(O)c2)ccc(N)c1O
InChIInChI=1S/C13H14N2O2/c1-7-9(3-5-11(15)13(7)17)8-2-4-10(14)12(16)6-8/h2-6,16-17H,14-15H2,1H3
InChIKeyLIXNHKGAISRTOG-UHFFFAOYSA-N
XLogP2.24
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.24
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol?
The IUPAC name of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol (CID 68596322) is 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol.
What is the SMILES notation for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol?
The canonical SMILES for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol is Cc1c(-c2ccc(N)c(O)c2)ccc(N)c1O.
What is the InChIKey of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol?
The InChIKey is LIXNHKGAISRTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-9(3-5-11(15)13(7)17)8-2-4-10(14)12(16)6-8/h2-6,16-17H,14-15H2,1H3.
What are the key properties of 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol?
6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol has a molecular weight of 230.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-amino-3-hydroxyphenyl)-2-methylphenol is sourced from PubChem (CID 68596322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).