4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol

C9H13NO3 — CID 28832999

IUPAC4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
SMILESOCCNCc1ccc(O)c(O)c1
InChIInChI=1S/C9H13NO3/c11-4-3-10-6-7-1-2-8(12)9(13)5-7/h1-2,5,10-13H,3-4,6H2
InChIKeyRXNMXBNKQXJJHP-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.18
Rot. Bonds4

About 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol

4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol (PubChem CID 28832999) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
PubChem CID28832999
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol
SMILESOCCNCc1ccc(O)c(O)c1
InChIInChI=1S/C9H13NO3/c11-4-3-10-6-7-1-2-8(12)9(13)5-7/h1-2,5,10-13H,3-4,6H2
InChIKeyRXNMXBNKQXJJHP-UHFFFAOYSA-N
XLogP0.18
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(3-hydroxypropylamino)methyl]benzene-1,2-diol
CID 28714440
4-[(4-hydroxybutylamino)methyl]benzene-1,2-diol
CID 106841084
4-[2-[(3,4-dihydroxyphenyl)methylamino]ethyl]benzene-1,2-diol
CID 3027257
4-[(3,3,3-trifluoropropylamino)methyl]benzene-1,2-diol
CID 63226391
4-[[2-(dimethylamino)ethylamino]methyl]benzene-1,2-diol
CID 4663866
3-[(3,4-dihydroxyphenyl)methylamino]propanoic acid
CID 43139941
2-[(3,4-dihydroxyphenyl)methylamino]ethylurea
CID 83111530
2-[(3,4-dibromophenyl)methylamino]ethanol
CID 75525100
4-[2-[(4-hydroxyphenyl)methylamino]ethyl]benzene-1,2-diol;hydrochloride
CID 6366773
4-[[(4-hydroxy-2-methylbutyl)amino]methyl]benzene-1,2-diol
CID 66090122
4-[(4-methylsulfanylbutylamino)methyl]benzene-1,2-diol
CID 115978612
2-[(3,4-dihydroxyphenyl)methylamino]acetic acid
CID 43135200

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol?
The IUPAC name of 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol (CID 28832999) is 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol?
The canonical SMILES for 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol is OCCNCc1ccc(O)c(O)c1.
What is the InChIKey of 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol?
The InChIKey is RXNMXBNKQXJJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c11-4-3-10-6-7-1-2-8(12)9(13)5-7/h1-2,5,10-13H,3-4,6H2.
What are the key properties of 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol?
4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol has a molecular weight of 183.21 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxyethylamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 28832999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).