2-(ethylamino)benzene-1,4-diol

C8H11NO2 — CID 14453618

IUPAC2-(ethylamino)benzene-1,4-diol
SMILESCCNc1cc(O)ccc1O
InChIInChI=1S/C8H11NO2/c1-2-9-7-5-6(10)3-4-8(7)11/h3-5,9-11H,2H2,1H3
InChIKeyHKQHULJHMQYZBM-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.53
Rot. Bonds2

About 2-(ethylamino)benzene-1,4-diol

2-(ethylamino)benzene-1,4-diol (PubChem CID 14453618) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 2-(ethylamino)benzene-1,4-diol.

Molecular Properties

Compound Name2-(ethylamino)benzene-1,4-diol
PubChem CID14453618
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name2-(ethylamino)benzene-1,4-diol
SMILESCCNc1cc(O)ccc1O
InChIInChI=1S/C8H11NO2/c1-2-9-7-5-6(10)3-4-8(7)11/h3-5,9-11H,2H2,1H3
InChIKeyHKQHULJHMQYZBM-UHFFFAOYSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)benzene-1,4-diol?
The IUPAC name of 2-(ethylamino)benzene-1,4-diol (CID 14453618) is 2-(ethylamino)benzene-1,4-diol.
What is the SMILES notation for 2-(ethylamino)benzene-1,4-diol?
The canonical SMILES for 2-(ethylamino)benzene-1,4-diol is CCNc1cc(O)ccc1O.
What is the InChIKey of 2-(ethylamino)benzene-1,4-diol?
The InChIKey is HKQHULJHMQYZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-9-7-5-6(10)3-4-8(7)11/h3-5,9-11H,2H2,1H3.
What are the key properties of 2-(ethylamino)benzene-1,4-diol?
2-(ethylamino)benzene-1,4-diol has a molecular weight of 153.18 g/mol, XLogP of 1.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)benzene-1,4-diol is sourced from PubChem (CID 14453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).