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

C8H11NO2 — CID 69118528

IUPAC3-(ethylamino)benzene-1,2-diol
SMILESCCNc1cccc(O)c1O
InChIInChI=1S/C8H11NO2/c1-2-9-6-4-3-5-7(10)8(6)11/h3-5,9-11H,2H2,1H3
InChIKeyRNPFSSVESFAOOZ-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.53
Rot. Bonds2

About 3-(ethylamino)benzene-1,2-diol

3-(ethylamino)benzene-1,2-diol (PubChem CID 69118528) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 3-(ethylamino)benzene-1,2-diol.

Molecular Properties

Compound Name3-(ethylamino)benzene-1,2-diol
PubChem CID69118528
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name3-(ethylamino)benzene-1,2-diol
SMILESCCNc1cccc(O)c1O
InChIInChI=1S/C8H11NO2/c1-2-9-6-4-3-5-7(10)8(6)11/h3-5,9-11H,2H2,1H3
InChIKeyRNPFSSVESFAOOZ-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_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
3-(4-hydroxybutylamino)benzene-1,2-diol
CID 54456176
3-(2,6-diethylanilino)benzene-1,2-diol
CID 141324141
3-amino-6-(ethylamino)benzene-1,2-diol
CID 174526526
2-[(Z)-but-2-en-2-yl]-1-N,3-N-diethylbenzene-1,3-diamine
CID 174672832
4-chloro-2-(ethylamino)phenol
CID 15847212
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
CID 175798397
CID 175798397
2-(ethylamino)-6-methylbenzoic acid
CID 13478134
benzene-1,2,3-triol
CID 87074018
1-N,3-N-diethyl-2-nitrobenzene-1,3-diamine
CID 45118197

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)benzene-1,2-diol?
The IUPAC name of 3-(ethylamino)benzene-1,2-diol (CID 69118528) is 3-(ethylamino)benzene-1,2-diol.
What is the SMILES notation for 3-(ethylamino)benzene-1,2-diol?
The canonical SMILES for 3-(ethylamino)benzene-1,2-diol is CCNc1cccc(O)c1O.
What is the InChIKey of 3-(ethylamino)benzene-1,2-diol?
The InChIKey is RNPFSSVESFAOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-9-6-4-3-5-7(10)8(6)11/h3-5,9-11H,2H2,1H3.
What are the key properties of 3-(ethylamino)benzene-1,2-diol?
3-(ethylamino)benzene-1,2-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 3-(ethylamino)benzene-1,2-diol is sourced from PubChem (CID 69118528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).