3-amino-2-(hydroxymethylamino)phenol

C7H10N2O2 — CID 69492544

IUPAC3-amino-2-(hydroxymethylamino)phenol
SMILESNc1cccc(O)c1NCO
InChIInChI=1S/C7H10N2O2/c8-5-2-1-3-6(11)7(5)9-4-10/h1-3,9-11H,4,8H2
InChIKeyYJORGJIQKPXYDU-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.34
Rot. Bonds2

About 3-amino-2-(hydroxymethylamino)phenol

3-amino-2-(hydroxymethylamino)phenol (PubChem CID 69492544) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 3-amino-2-(hydroxymethylamino)phenol.

Molecular Properties

Compound Name3-amino-2-(hydroxymethylamino)phenol
PubChem CID69492544
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name3-amino-2-(hydroxymethylamino)phenol
SMILESNc1cccc(O)c1NCO
InChIInChI=1S/C7H10N2O2/c8-5-2-1-3-6(11)7(5)9-4-10/h1-3,9-11H,4,8H2
InChIKeyYJORGJIQKPXYDU-UHFFFAOYSA-N
XLogP0.34
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.34
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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-(benzylamino)phenol
CID 162373513
2-(2,6-diaminoanilino)ethanol
CID 23362032
2,3-diaminophenol;hydrochloride
CID 18381079
2,3-diaminophenol;zinc
CID 90019674
2,3-diaminophenol;dihydrochloride
CID 18401751
sodium 2-aminophenol
CID 18764426
2-aminophenol;azane
CID 159865141
2-(2-amino-6-methylanilino)-2-(hydroxymethyl)propane-1,3-diol
CID 107845627
2-(2-amino-6-methylanilino)propane-1,3-diol
CID 115550630
3-(2-amino-6-chloroanilino)-2-methylpropane-1,2-diol
CID 66169895
2-(2-amino-6-methylanilino)-2-methylbutan-1-ol
CID 115550597
benzene-1,2-diamine;benzene-1,3-diol
CID 67778876

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(hydroxymethylamino)phenol?
The IUPAC name of 3-amino-2-(hydroxymethylamino)phenol (CID 69492544) is 3-amino-2-(hydroxymethylamino)phenol.
What is the SMILES notation for 3-amino-2-(hydroxymethylamino)phenol?
The canonical SMILES for 3-amino-2-(hydroxymethylamino)phenol is Nc1cccc(O)c1NCO.
What is the InChIKey of 3-amino-2-(hydroxymethylamino)phenol?
The InChIKey is YJORGJIQKPXYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c8-5-2-1-3-6(11)7(5)9-4-10/h1-3,9-11H,4,8H2.
What are the key properties of 3-amino-2-(hydroxymethylamino)phenol?
3-amino-2-(hydroxymethylamino)phenol has a molecular weight of 154.17 g/mol, XLogP of 0.34, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(hydroxymethylamino)phenol is sourced from PubChem (CID 69492544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).