4-[1-(ethylamino)ethyl]benzene-1,3-diol

C10H15NO2 — CID 24698646

IUPAC4-[1-(ethylamino)ethyl]benzene-1,3-diol
SMILESCCNC(C)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-3-11-7(2)9-5-4-8(12)6-10(9)13/h4-7,11-13H,3H2,1-2H3
InChIKeyGBOFPSMJZNEPHG-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.77
Rot. Bonds3

About 4-[1-(ethylamino)ethyl]benzene-1,3-diol

4-[1-(ethylamino)ethyl]benzene-1,3-diol (PubChem CID 24698646) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-[1-(ethylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[1-(ethylamino)ethyl]benzene-1,3-diol
PubChem CID24698646
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-[1-(ethylamino)ethyl]benzene-1,3-diol
SMILESCCNC(C)c1ccc(O)cc1O
InChIInChI=1S/C10H15NO2/c1-3-11-7(2)9-5-4-8(12)6-10(9)13/h4-7,11-13H,3H2,1-2H3
InChIKeyGBOFPSMJZNEPHG-UHFFFAOYSA-N
XLogP1.77
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(2-hydroxyethylamino)ethyl]benzene-1,3-diol
CID 43151178
4-[1-[(2-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
2-[1-(2,4-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 43567781
4-[1-(5-hydroxypentylamino)ethyl]benzene-1,3-diol
CID 107316713
3-[1-(2,4-dihydroxyphenyl)ethylamino]-2-methylpropanenitrile
CID 62648148
4-[1-(4,4,4-trifluorobutylamino)ethyl]benzene-1,3-diol
CID 115516399
4-(1-hydrazinylethyl)benzene-1,3-diol
CID 53402211
2-[1-(ethylamino)ethyl]-5-[ethyl(2,2,2-trifluoroethyl)amino]phenol
CID 79603980
4-[1-[(4-bromophenyl)methylamino]ethyl]benzene-1,3-diol
CID 60735142
4-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]benzene-1,3-diol
CID 65105787
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
4-[1-[(5-methylthiophen-2-yl)methylamino]ethyl]benzene-1,3-diol
CID 55029885

Frequently Asked Questions

What is the IUPAC name of 4-[1-(ethylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 4-[1-(ethylamino)ethyl]benzene-1,3-diol (CID 24698646) is 4-[1-(ethylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 4-[1-(ethylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 4-[1-(ethylamino)ethyl]benzene-1,3-diol is CCNC(C)c1ccc(O)cc1O.
What is the InChIKey of 4-[1-(ethylamino)ethyl]benzene-1,3-diol?
The InChIKey is GBOFPSMJZNEPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-11-7(2)9-5-4-8(12)6-10(9)13/h4-7,11-13H,3H2,1-2H3.
What are the key properties of 4-[1-(ethylamino)ethyl]benzene-1,3-diol?
4-[1-(ethylamino)ethyl]benzene-1,3-diol has a molecular weight of 181.24 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(ethylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 24698646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).