3-amino-6-(ethylamino)benzene-1,2-diol

C8H12N2O2 — CID 174526526

IUPAC3-amino-6-(ethylamino)benzene-1,2-diol
SMILESCCNc1ccc(N)c(O)c1O
InChIInChI=1S/C8H12N2O2/c1-2-10-6-4-3-5(9)7(11)8(6)12/h3-4,10-12H,2,9H2,1H3
InChIKeyYJPBFDTVFCODBE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.11
Rot. Bonds2

About 3-amino-6-(ethylamino)benzene-1,2-diol

3-amino-6-(ethylamino)benzene-1,2-diol (PubChem CID 174526526) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is 3-amino-6-(ethylamino)benzene-1,2-diol.

Molecular Properties

Compound Name3-amino-6-(ethylamino)benzene-1,2-diol
PubChem CID174526526
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name3-amino-6-(ethylamino)benzene-1,2-diol
SMILESCCNc1ccc(N)c(O)c1O
InChIInChI=1S/C8H12N2O2/c1-2-10-6-4-3-5(9)7(11)8(6)12/h3-4,10-12H,2,9H2,1H3
InChIKeyYJPBFDTVFCODBE-UHFFFAOYSA-N
XLogP1.11
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(ethylamino)benzene-1,2-diol
CID 69118528
1-N,2-diethyl-3-methylbenzene-1,4-diamine
CID 19599042
3-(ethylamino)-2,6-dimethylphenol
CID 43741904
4-bromo-1-N-ethylbenzene-1,2-diamine
CID 11816737
3-amino-4-(ethylamino)benzamide
CID 43448330
4-(aminomethyl)-1-N-ethylbenzene-1,2-diamine
CID 82502920
4-(ethylamino)-2-methylbenzene-1,3-diol;naphthalene-2,7-diol
CID 174800015
4-(ethylamino)-3-methylphenol
CID 21118573
3-(ethylamino)-2,6-dimethoxyphenol
CID 19389311
1-N-ethyl-4-(trifluoromethylsulfonyl)benzene-1,2-diamine
CID 703518
3-amino-N-ethyl-2-hydroxybenzenesulfonamide
CID 101304003
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(ethylamino)benzene-1,2-diol?
The IUPAC name of 3-amino-6-(ethylamino)benzene-1,2-diol (CID 174526526) is 3-amino-6-(ethylamino)benzene-1,2-diol.
What is the SMILES notation for 3-amino-6-(ethylamino)benzene-1,2-diol?
The canonical SMILES for 3-amino-6-(ethylamino)benzene-1,2-diol is CCNc1ccc(N)c(O)c1O.
What is the InChIKey of 3-amino-6-(ethylamino)benzene-1,2-diol?
The InChIKey is YJPBFDTVFCODBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-2-10-6-4-3-5(9)7(11)8(6)12/h3-4,10-12H,2,9H2,1H3.
What are the key properties of 3-amino-6-(ethylamino)benzene-1,2-diol?
3-amino-6-(ethylamino)benzene-1,2-diol has a molecular weight of 168.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(ethylamino)benzene-1,2-diol is sourced from PubChem (CID 174526526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).