1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

C17H30N2O2 — CID 79095490

IUPAC1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H30N2O2/c1-6-11-18-15(13-19(4)5)14-9-10-16(20-7-2)17(12-14)21-8-3/h9-10,12,15,18H,6-8,11,13H2,1-5H3
InChIKeyWQBRKUNICYZOEI-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.09
Rot. Bonds10

About 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine

1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (PubChem CID 79095490) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
PubChem CID79095490
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
SMILESCCCNC(CN(C)C)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C17H30N2O2/c1-6-11-18-15(13-19(4)5)14-9-10-16(20-7-2)17(12-14)21-8-3/h9-10,12,15,18H,6-8,11,13H2,1-5H3
InChIKeyWQBRKUNICYZOEI-UHFFFAOYSA-N
XLogP3.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-diethoxyphenyl)-N-propylbut-3-en-1-amine
CID 116660997
1-(3,4-diethoxyphenyl)-N-propylpent-3-yn-1-amine
CID 115819147
1-(3-fluoro-4-methoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 79089310
1-(3,4-diethoxyphenyl)-2-methyl-N-propylpropan-1-amine
CID 43496074
1-(3,4-diethoxyphenyl)-2-(propylamino)propan-1-ol
CID 82315715
4-(3,4-diethoxyphenyl)-N-propylpentan-2-amine
CID 64718995
N',N'-dimethyl-1-phenyl-N-propylethane-1,2-diamine
CID 43203951
1-(3-cyclopropyloxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 114521871
N-[(3-ethoxy-4-methoxyphenyl)methyl]-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 78823901
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
1-(3-bromo-2,4-dimethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine
CID 103523440

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The IUPAC name of 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine (CID 79095490) is 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine is CCCNC(CN(C)C)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
The InChIKey is WQBRKUNICYZOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-6-11-18-15(13-19(4)5)14-9-10-16(20-7-2)17(12-14)21-8-3/h9-10,12,15,18H,6-8,11,13H2,1-5H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine?
1-(3,4-diethoxyphenyl)-N',N'-dimethyl-N-propylethane-1,2-diamine has a molecular weight of 294.44 g/mol, XLogP of 3.09, 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)-N',N'-dimethyl-N-propylethane-1,2-diamine is sourced from PubChem (CID 79095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).