2-amino-5-(4-amino-3-methoxyphenyl)phenol

C13H14N2O2 — CID 131862396

IUPAC2-amino-5-(4-amino-3-methoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(N)c(O)c2)ccc1N
InChIInChI=1S/C13H14N2O2/c1-17-13-7-9(3-5-11(13)15)8-2-4-10(14)12(16)6-8/h2-7,16H,14-15H2,1H3
InChIKeyJQSCOPQWPVETTC-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.23
Rot. Bonds2

About 2-amino-5-(4-amino-3-methoxyphenyl)phenol

2-amino-5-(4-amino-3-methoxyphenyl)phenol (PubChem CID 131862396) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-amino-5-(4-amino-3-methoxyphenyl)phenol.

Molecular Properties

Compound Name2-amino-5-(4-amino-3-methoxyphenyl)phenol
PubChem CID131862396
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-amino-5-(4-amino-3-methoxyphenyl)phenol
SMILESCOc1cc(-c2ccc(N)c(O)c2)ccc1N
InChIInChI=1S/C13H14N2O2/c1-17-13-7-9(3-5-11(13)15)8-2-4-10(14)12(16)6-8/h2-7,16H,14-15H2,1H3
InChIKeyJQSCOPQWPVETTC-UHFFFAOYSA-N
XLogP2.23
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.23
H-Bond Donors ≤ 53
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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Related Compounds

3,3'-Dimethoxybenzidine-4,4'-diisocyanate
CID 7069
Dianisidine
CID 8411
3,3'-Dihydroxybenzidine
CID 16918
o-Dianisidine dihydrochloride
CID 62311
3,7-Diamino-2-methoxyfluorene
CID 276255
2-(2-Azanylphenoxy)-5-Hexyl-Phenol
CID 44450094
4-Amino-4'-methoxybiphenyl
CID 2759564
o-Dianisidine hydrochloride
CID 12309823
2-(3-Methylphenoxy)aniline
CID 2060829
4-Amino-3'-methoxystilbene
CID 6440384
3,3'-Dihydroxy-4,4'-diaminodiphenylmethane
CID 140917
3,3'-Diethoxybiphenyl-4,4'-diamine
CID 974772

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-amino-3-methoxyphenyl)phenol?
The IUPAC name of 2-amino-5-(4-amino-3-methoxyphenyl)phenol (CID 131862396) is 2-amino-5-(4-amino-3-methoxyphenyl)phenol.
What is the SMILES notation for 2-amino-5-(4-amino-3-methoxyphenyl)phenol?
The canonical SMILES for 2-amino-5-(4-amino-3-methoxyphenyl)phenol is COc1cc(-c2ccc(N)c(O)c2)ccc1N.
What is the InChIKey of 2-amino-5-(4-amino-3-methoxyphenyl)phenol?
The InChIKey is JQSCOPQWPVETTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13-7-9(3-5-11(13)15)8-2-4-10(14)12(16)6-8/h2-7,16H,14-15H2,1H3.
What are the key properties of 2-amino-5-(4-amino-3-methoxyphenyl)phenol?
2-amino-5-(4-amino-3-methoxyphenyl)phenol has a molecular weight of 230.27 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-amino-3-methoxyphenyl)phenol is sourced from PubChem (CID 131862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).