2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol

C13H21NO3 — CID 78966701

IUPAC2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
SMILESCCOCCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-3-17-8-7-14-10-13(15)11-5-4-6-12(9-11)16-2/h4-6,9,13-15H,3,7-8,10H2,1-2H3
InChIKeyVBRPMZVJRNPWIR-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.35
Rot. Bonds8

About 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol

2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol (PubChem CID 78966701) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
PubChem CID78966701
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol
SMILESCCOCCNCC(O)c1cccc(OC)c1
InChIInChI=1S/C13H21NO3/c1-3-17-8-7-14-10-13(15)11-5-4-6-12(9-11)16-2/h4-6,9,13-15H,3,7-8,10H2,1-2H3
InChIKeyVBRPMZVJRNPWIR-UHFFFAOYSA-N
XLogP1.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
1-(3-methoxyphenyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 78966774
1-(3-methoxyphenyl)-2-(2-propan-2-yloxyethylamino)ethanol
CID 113450094
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-1-methoxybutan-2-ol
CID 106246707
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-2-(4-methylpentylamino)ethanol
CID 78966982
1-(3-methoxyphenyl)-2-(2-pyridin-4-ylethylamino)ethanol
CID 81133898
1-(3-methoxyphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 78966811
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-2-methylpropan-1-ol
CID 78967042
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
2-[2-[cyclopentyl(methyl)amino]ethylamino]-1-(3-methoxyphenyl)ethanol
CID 81134315
2-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]-N-propan-2-ylacetamide
CID 81134737

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol (CID 78966701) is 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol is CCOCCNCC(O)c1cccc(OC)c1.
What is the InChIKey of 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is VBRPMZVJRNPWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-17-8-7-14-10-13(15)11-5-4-6-12(9-11)16-2/h4-6,9,13-15H,3,7-8,10H2,1-2H3.
What are the key properties of 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol?
2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 239.31 g/mol, XLogP of 1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethylamino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 78966701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).