1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine

C17H29NO3 — CID 64535611

IUPAC1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(OCC)c(OCC)c1)C(C)OCC
InChIInChI=1S/C17H29NO3/c1-6-18-17(13(5)19-7-2)14-10-11-15(20-8-3)16(12-14)21-9-4/h10-13,17-18H,6-9H2,1-5H3
InChIKeyKBZSESZZUAWMRO-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.56
Rot. Bonds10

About 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine

1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine (PubChem CID 64535611) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
PubChem CID64535611
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Name1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine
SMILESCCNC(c1ccc(OCC)c(OCC)c1)C(C)OCC
InChIInChI=1S/C17H29NO3/c1-6-18-17(13(5)19-7-2)14-10-11-15(20-8-3)16(12-14)21-9-4/h10-13,17-18H,6-9H2,1-5H3
InChIKeyKBZSESZZUAWMRO-UHFFFAOYSA-N
XLogP3.56
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-1-(4-ethoxyphenyl)-N-ethylpropan-1-amine
CID 64534403
1-(3,4-dichlorophenyl)-2-ethoxy-N-ethylpropan-1-amine
CID 64532795
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
1-(3,4-diethoxyphenyl)-N,2-dimethylpentan-1-amine
CID 43483715
2-ethoxy-N-ethyl-1-quinolin-7-ylpropan-1-amine
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N-[1-(3,4-diethoxyphenyl)-2-methylpropyl]methanesulfonamide
CID 51263519
2-ethoxy-N-ethyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 64535416
[1-(3,4-diethoxyphenyl)-2,2-difluoroethyl]hydrazine
CID 105265233
1-(3,4-diethoxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 116720003
2,2-diethoxy-N-ethyl-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 79495027
1-(3,4-diethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039354
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine (CID 64535611) is 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine is CCNC(c1ccc(OCC)c(OCC)c1)C(C)OCC.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine?
The InChIKey is KBZSESZZUAWMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-6-18-17(13(5)19-7-2)14-10-11-15(20-8-3)16(12-14)21-9-4/h10-13,17-18H,6-9H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine?
1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine has a molecular weight of 295.42 g/mol, XLogP of 3.56, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-ethoxy-N-ethylpropan-1-amine is sourced from PubChem (CID 64535611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).