1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol

C17H29NO4 — CID 82073673

IUPAC1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCOc1ccc(C(O)CCN(CC)CCO)cc1OCC
InChIInChI=1S/C17H29NO4/c1-4-18(11-12-19)10-9-15(20)14-7-8-16(21-5-2)17(13-14)22-6-3/h7-8,13,15,19-20H,4-6,9-12H2,1-3H3
InChIKeyZSFNYDWKFFAXRB-UHFFFAOYSA-N
MW311.42 g/mol
LogP2.22
Rot. Bonds11

About 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol

1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol (PubChem CID 82073673) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
PubChem CID82073673
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol
SMILESCCOc1ccc(C(O)CCN(CC)CCO)cc1OCC
InChIInChI=1S/C17H29NO4/c1-4-18(11-12-19)10-9-15(20)14-7-8-16(21-5-2)17(13-14)22-6-3/h7-8,13,15,19-20H,4-6,9-12H2,1-3H3
InChIKeyZSFNYDWKFFAXRB-UHFFFAOYSA-N
XLogP2.22
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82073670
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 82073667
6-(3,4-diethoxyphenyl)-6-hydroxyhexanoic acid
CID 43447097
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
2-[bis(2-hydroxyethyl)amino]-1-(2-ethoxy-5-methylphenyl)ethanol
CID 82216742
1-(3,4-diethoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-ol
CID 82073664
1-(3,4-diethoxyphenyl)-3-(furan-2-yl)propan-1-ol
CID 105094403
1-(3,4-dipentoxyphenyl)pentan-1-ol
CID 54470953

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol (CID 82073673) is 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol is CCOc1ccc(C(O)CCN(CC)CCO)cc1OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol?
The InChIKey is ZSFNYDWKFFAXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-4-18(11-12-19)10-9-15(20)14-7-8-16(21-5-2)17(13-14)22-6-3/h7-8,13,15,19-20H,4-6,9-12H2,1-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol?
1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol has a molecular weight of 311.42 g/mol, XLogP of 2.22, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-3-[ethyl(2-hydroxyethyl)amino]propan-1-ol is sourced from PubChem (CID 82073673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).