N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine

C18H32N2O — CID 63692117

IUPACN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CCOCC)c1ccc(C)cc1
InChIInChI=1S/C18H32N2O/c1-5-19-18(17-10-8-16(4)9-11-17)12-13-20(6-2)14-15-21-7-3/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyQWARRAGYBCAZHB-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.39
Rot. Bonds11

About N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine

N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine (PubChem CID 63692117) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
PubChem CID63692117
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
SMILESCCNC(CCN(CC)CCOCC)c1ccc(C)cc1
InChIInChI=1S/C18H32N2O/c1-5-19-18(17-10-8-16(4)9-11-17)12-13-20(6-2)14-15-21-7-3/h8-11,18-19H,5-7,12-15H2,1-4H3
InChIKeyQWARRAGYBCAZHB-UHFFFAOYSA-N
XLogP3.39
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.39
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

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
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 63697022
1-(4-ethoxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087914
N,N',N'-triethyl-1-(4-propan-2-yloxyphenyl)propane-1,3-diamine
CID 79094593
N-ethyl-N'-(2-methoxyethyl)-1-(4-methylphenyl)-N'-propan-2-ylpropane-1,3-diamine
CID 82940916
N'-(2-ethoxyethyl)-N-ethyl-1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 81074409
2-[ethyl-[3-(4-methylphenyl)-3-(propylamino)propyl]amino]ethanol
CID 62617730
N-ethyl-N'-(1-methoxypropan-2-yl)-N'-methyl-1-(4-methylphenyl)propane-1,3-diamine
CID 62618250
1-(4-cyclopropyloxyphenyl)-N,N',N'-triethylpropane-1,3-diamine
CID 114519577
N'-(2-ethoxyethyl)-N'-ethyl-N-(4-methylphenyl)ethane-1,2-diamine
CID 63692696
N-ethyl-1-(4-methylphenyl)-3-propan-2-yloxypropan-1-amine
CID 115002189

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine (CID 63692117) is N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine is CCNC(CCN(CC)CCOCC)c1ccc(C)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
The InChIKey is QWARRAGYBCAZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-19-18(17-10-8-16(4)9-11-17)12-13-20(6-2)14-15-21-7-3/h8-11,18-19H,5-7,12-15H2,1-4H3.
What are the key properties of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine?
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.39, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine is sourced from PubChem (CID 63692117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).