4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol

C10H15NO3 — CID 84774316

IUPAC4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
SMILESCCc1cc(C(N)CO)c(O)cc1O
InChIInChI=1S/C10H15NO3/c1-2-6-3-7(8(11)5-12)10(14)4-9(6)13/h3-4,8,12-14H,2,5,11H2,1H3
InChIKeyBGKUZDQJIRIEHI-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.65
Rot. Bonds3

About 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol

4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol (PubChem CID 84774316) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol.

Molecular Properties

Compound Name4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
PubChem CID84774316
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol
SMILESCCc1cc(C(N)CO)c(O)cc1O
InChIInChI=1S/C10H15NO3/c1-2-6-3-7(8(11)5-12)10(14)4-9(6)13/h3-4,8,12-14H,2,5,11H2,1H3
InChIKeyBGKUZDQJIRIEHI-UHFFFAOYSA-N
XLogP0.65
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-(5-ethyl-2,4-dihydroxyphenyl)propanoic acid
CID 84790025
4-[3-amino-1-(5-ethyl-2,4-dihydroxyphenyl)propyl]-6-ethylbenzene-1,3-diol
CID 71345290
2-amino-2-(2-ethyl-5-methylphenyl)ethanol
CID 55283638
5-[(1S)-1-amino-2-hydroxyethyl]-2-fluoro-4-hydroxybenzoic acid
CID 66514552
2-[(1S)-1-amino-2-hydroxyethyl]-6-ethylphenol
CID 55262993
2-(1-amino-2-hydroxyethyl)-4-chloro-5-fluorophenol
CID 77129858
2-[(1S)-1-amino-2-hydroxyethyl]-4-bromo-5-methylphenol
CID 66515434
4-ethyl-6-(hydroxymethyl)benzene-1,3-diol
CID 84765393
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
4-ethyl-6-[(5-ethyl-2,4-dihydroxyphenyl)-(4-hydroxyphenyl)methyl]benzene-1,3-diol
CID 139659266
2-[(1S)-1-amino-2-hydroxyethyl]-4-fluoro-5-(trifluoromethyl)phenol
CID 66514812
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol?
The IUPAC name of 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol (CID 84774316) is 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol.
What is the SMILES notation for 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol?
The canonical SMILES for 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol is CCc1cc(C(N)CO)c(O)cc1O.
What is the InChIKey of 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol?
The InChIKey is BGKUZDQJIRIEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-6-3-7(8(11)5-12)10(14)4-9(6)13/h3-4,8,12-14H,2,5,11H2,1H3.
What are the key properties of 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol?
4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol has a molecular weight of 197.23 g/mol, XLogP of 0.65, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-hydroxyethyl)-6-ethylbenzene-1,3-diol is sourced from PubChem (CID 84774316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).