1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine

C17H29ClN2O — CID 63690707

IUPAC1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CCOCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-4-19-17(15-7-9-16(18)10-8-15)11-12-20(5-2)13-14-21-6-3/h7-10,17,19H,4-6,11-14H2,1-3H3
InChIKeyLBRZYIVFFNJQCZ-UHFFFAOYSA-N
MW312.89 g/mol
LogP3.74
Rot. Bonds11

About 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine

1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine (PubChem CID 63690707) has the molecular formula C17H29ClN2O and a molecular weight of 312.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
PubChem CID63690707
Molecular FormulaC17H29ClN2O
Molecular Weight312.89 g/mol
Exact Mass312.20
IUPAC Name1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
SMILESCCNC(CCN(CC)CCOCC)c1ccc(Cl)cc1
InChIInChI=1S/C17H29ClN2O/c1-4-19-17(15-7-9-16(18)10-8-15)11-12-20(5-2)13-14-21-6-3/h7-10,17,19H,4-6,11-14H2,1-3H3
InChIKeyLBRZYIVFFNJQCZ-UHFFFAOYSA-N
XLogP3.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.89
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(4-chlorophenyl)-N'-(cyclobutylmethyl)-N,N'-diethylpropane-1,3-diamine
CID 107401588
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 63697022
1-(4-chlorophenyl)-N,N'-diethyl-N'-(1-methoxypropan-2-yl)propane-1,3-diamine
CID 62643465
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
2-[[3-(4-chlorophenyl)-3-(ethylamino)propyl]-propylamino]ethanol
CID 62645398
1-(4-chlorophenyl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 62643562
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
1-(4-chlorophenyl)-N-ethyl-N'-methyl-N'-propylpropane-1,3-diamine
CID 62643420
N,N'-diethyl-1-(4-methylphenyl)-N'-propylpropane-1,3-diamine
CID 62617865
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine?
The IUPAC name of 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine (CID 63690707) is 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine?
The canonical SMILES for 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine is CCNC(CCN(CC)CCOCC)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine?
The InChIKey is LBRZYIVFFNJQCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29ClN2O/c1-4-19-17(15-7-9-16(18)10-8-15)11-12-20(5-2)13-14-21-6-3/h7-10,17,19H,4-6,11-14H2,1-3H3.
What are the key properties of 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine?
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine has a molecular weight of 312.89 g/mol, XLogP of 3.74, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 63690707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).