acetic acid;2-(2-aminoethylamino)phenol

C12H20N2O5 — CID 162322741

IUPACacetic acid;2-(2-aminoethylamino)phenol
SMILESCC(=O)O.CC(=O)O.NCCNc1ccccc1O
InChIInChI=1S/C8H12N2O.2C2H4O2/c9-5-6-10-7-3-1-2-4-8(7)11;2*1-2(3)4/h1-4,10-11H,5-6,9H2;2*1H3,(H,3,4)
InChIKeyFXCDEKCDSFGWLO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.94
Rot. Bonds3

About acetic acid;2-(2-aminoethylamino)phenol

acetic acid;2-(2-aminoethylamino)phenol (PubChem CID 162322741) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is acetic acid;2-(2-aminoethylamino)phenol.

Molecular Properties

Compound Nameacetic acid;2-(2-aminoethylamino)phenol
PubChem CID162322741
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Nameacetic acid;2-(2-aminoethylamino)phenol
SMILESCC(=O)O.CC(=O)O.NCCNc1ccccc1O
InChIInChI=1S/C8H12N2O.2C2H4O2/c9-5-6-10-7-3-1-2-4-8(7)11;2*1-2(3)4/h1-4,10-11H,5-6,9H2;2*1H3,(H,3,4)
InChIKeyFXCDEKCDSFGWLO-UHFFFAOYSA-N
XLogP0.94
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(2-aminoethylamino)phenol?
The IUPAC name of acetic acid;2-(2-aminoethylamino)phenol (CID 162322741) is acetic acid;2-(2-aminoethylamino)phenol.
What is the SMILES notation for acetic acid;2-(2-aminoethylamino)phenol?
The canonical SMILES for acetic acid;2-(2-aminoethylamino)phenol is CC(=O)O.CC(=O)O.NCCNc1ccccc1O.
What is the InChIKey of acetic acid;2-(2-aminoethylamino)phenol?
The InChIKey is FXCDEKCDSFGWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.2C2H4O2/c9-5-6-10-7-3-1-2-4-8(7)11;2*1-2(3)4/h1-4,10-11H,5-6,9H2;2*1H3,(H,3,4).
What are the key properties of acetic acid;2-(2-aminoethylamino)phenol?
acetic acid;2-(2-aminoethylamino)phenol has a molecular weight of 272.30 g/mol, XLogP of 0.94, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(2-aminoethylamino)phenol is sourced from PubChem (CID 162322741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).