2,3-diamino-4-methoxyphenol

C7H10N2O2 — CID 70465216

IUPAC2,3-diamino-4-methoxyphenol
SMILESCOc1ccc(O)c(N)c1N
InChIInChI=1S/C7H10N2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,8-9H2,1H3
InChIKeyBNIBHSRAFZSJJG-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.57
Rot. Bonds1

About 2,3-diamino-4-methoxyphenol

2,3-diamino-4-methoxyphenol (PubChem CID 70465216) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2,3-diamino-4-methoxyphenol.

Molecular Properties

Compound Name2,3-diamino-4-methoxyphenol
PubChem CID70465216
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2,3-diamino-4-methoxyphenol
SMILESCOc1ccc(O)c(N)c1N
InChIInChI=1S/C7H10N2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,8-9H2,1H3
InChIKeyBNIBHSRAFZSJJG-UHFFFAOYSA-N
XLogP0.57
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.57
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

2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
2,7-dimethoxynaphthalene-1,8-diamine
CID 12868710
2,6-dimethoxyaniline;ethane
CID 145233133
2-amino-3,6-dimethoxybenzenesulfonic acid
CID 19746586
2-fluoro-6-methoxy-3-methylaniline
CID 84763578
methanol;3-methoxybenzene-1,2-diamine
CID 174908169
2-chloro-6-methoxy-3-methylaniline
CID 84766117
3-fluoro-6-methoxy-2-methylaniline;hydrochloride
CID 162333711
1,4-dihydroxy-5,8-dimethoxyanthracene-9,10-dione
CID 21437455
2-bromo-4-methoxy-3-methylphenol
CID 54571766
3-amino-2-chloro-6-methoxyphenol
CID 45120120
2-bromo-6-methoxy-3-methylaniline
CID 84784559

Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-4-methoxyphenol?
The IUPAC name of 2,3-diamino-4-methoxyphenol (CID 70465216) is 2,3-diamino-4-methoxyphenol.
What is the SMILES notation for 2,3-diamino-4-methoxyphenol?
The canonical SMILES for 2,3-diamino-4-methoxyphenol is COc1ccc(O)c(N)c1N.
What is the InChIKey of 2,3-diamino-4-methoxyphenol?
The InChIKey is BNIBHSRAFZSJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-11-5-3-2-4(10)6(8)7(5)9/h2-3,10H,8-9H2,1H3.
What are the key properties of 2,3-diamino-4-methoxyphenol?
2,3-diamino-4-methoxyphenol has a molecular weight of 154.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-4-methoxyphenol is sourced from PubChem (CID 70465216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).