1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

C17H30N2O — CID 79087914

IUPAC1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OCC)cc1
InChIInChI=1S/C17H30N2O/c1-5-18-17(13-14-19(6-2)7-3)15-9-11-16(12-10-15)20-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3
InChIKeyHVSFCTNHHDKGPT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.47
Rot. Bonds10

About 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine

1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (PubChem CID 79087914) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
PubChem CID79087914
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CC)c1ccc(OCC)cc1
InChIInChI=1S/C17H30N2O/c1-5-18-17(13-14-19(6-2)7-3)15-9-11-16(12-10-15)20-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3
InChIKeyHVSFCTNHHDKGPT-UHFFFAOYSA-N
XLogP3.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
1-(4-ethoxyphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43489419
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(4-ethoxyphenyl)-N-ethyl-4-methylpent-4-en-1-amine
CID 105039267
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
1-(4-cyclobutylphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 116506277
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 79094602
1-(3-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114521865
N,N',N'-triethyl-1-(2-methoxyphenyl)propane-1,3-diamine
CID 79087347
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine (CID 79087914) is 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is CCNC(CCN(CC)CC)c1ccc(OCC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
The InChIKey is HVSFCTNHHDKGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-18-17(13-14-19(6-2)7-3)15-9-11-16(12-10-15)20-8-4/h9-12,17-18H,5-8,13-14H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine?
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 79087914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).