4-amino-6-(aminomethyl)benzene-1,3-diol

C7H10N2O2 — CID 154288362

IUPAC4-amino-6-(aminomethyl)benzene-1,3-diol
SMILESNCc1cc(N)c(O)cc1O
InChIInChI=1S/C7H10N2O2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2,10-11H,3,8-9H2
InChIKeyDPOLNXLISPBIPO-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.14
Rot. Bonds1

About 4-amino-6-(aminomethyl)benzene-1,3-diol

4-amino-6-(aminomethyl)benzene-1,3-diol (PubChem CID 154288362) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4-amino-6-(aminomethyl)benzene-1,3-diol.

Molecular Properties

Compound Name4-amino-6-(aminomethyl)benzene-1,3-diol
PubChem CID154288362
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4-amino-6-(aminomethyl)benzene-1,3-diol
SMILESNCc1cc(N)c(O)cc1O
InChIInChI=1S/C7H10N2O2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2,10-11H,3,8-9H2
InChIKeyDPOLNXLISPBIPO-UHFFFAOYSA-N
XLogP0.14
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2-aminoethyl)benzene-1,4-diol;dihydrobromide
CID 86775405
2,5-diaminobenzene-1,4-diol;dihydrobromide
CID 70601230
bis(4-amino-2-(aminomethyl)phenol);dihydrochloride
CID 91620372
4-amino-2-(aminomethyl)phenol;dihydrochloride
CID 5463812
2-(5-amino-2-fluoro-4-hydroxyphenyl)acetaldehyde
CID 90219665
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124
2-(aminomethyl)-5-bromo-4-methylphenol;hydrobromide
CID 178200410
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
2-amino-6-(aminomethyl)-4-methylphenol
CID 82417085
4-amino-2-ethyl-5-methylphenol
CID 105429592
2-amino-5-methyl-4-prop-2-enylphenol
CID 163979621
5-(aminomethyl)-2,3,4-trimethylaniline
CID 23346989

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(aminomethyl)benzene-1,3-diol?
The IUPAC name of 4-amino-6-(aminomethyl)benzene-1,3-diol (CID 154288362) is 4-amino-6-(aminomethyl)benzene-1,3-diol.
What is the SMILES notation for 4-amino-6-(aminomethyl)benzene-1,3-diol?
The canonical SMILES for 4-amino-6-(aminomethyl)benzene-1,3-diol is NCc1cc(N)c(O)cc1O.
What is the InChIKey of 4-amino-6-(aminomethyl)benzene-1,3-diol?
The InChIKey is DPOLNXLISPBIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-3-4-1-5(9)7(11)2-6(4)10/h1-2,10-11H,3,8-9H2.
What are the key properties of 4-amino-6-(aminomethyl)benzene-1,3-diol?
4-amino-6-(aminomethyl)benzene-1,3-diol has a molecular weight of 154.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(aminomethyl)benzene-1,3-diol is sourced from PubChem (CID 154288362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).