N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine

C18H32N2O — CID 63697022

IUPACN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(CC)CCOCC)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-16-9-11-17(12-10-16)18(19-6-2)15-20(7-3)13-14-21-8-4/h9-12,18-19H,5-8,13-15H2,1-4H3
InChIKeyFLDGHZOYKOKRGO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.26
Rot. Bonds11

About N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine

N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine (PubChem CID 63697022) 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-ethylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
PubChem CID63697022
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine
SMILESCCNC(CN(CC)CCOCC)c1ccc(CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-16-9-11-17(12-10-16)18(19-6-2)15-20(7-3)13-14-21-8-4/h9-12,18-19H,5-8,13-15H2,1-4H3
InChIKeyFLDGHZOYKOKRGO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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'-ethyl-1-(4-ethylphenyl)-N,N'-dipropylethane-1,2-diamine
CID 63467155
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-methylphenyl)propane-1,3-diamine
CID 63692117
1-(4-chlorophenyl)-N'-(2-ethoxyethyl)-N,N'-diethylpropane-1,3-diamine
CID 63690707
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
N,N',N'-triethyl-1-phenylethane-1,2-diamine
CID 60695169
1-(3,4-dimethylphenyl)-N'-(2-ethoxyethyl)-N'-ethyl-N-methylethane-1,2-diamine
CID 63695773
N-ethyl-1-(4-ethylphenyl)-3-methoxypropan-1-amine
CID 62542901
N-ethyl-1-(4-ethylphenyl)-N'-(2-methylpropyl)-N'-propan-2-ylethane-1,2-diamine
CID 63470331
N-ethyl-1-(4-ethylphenyl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 63466547
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
N',N'-diethyl-N-[1-(4-ethylphenyl)propyl]propane-1,3-diamine
CID 43309958
N-ethyl-1-(4-ethylphenyl)pentan-1-amine
CID 43491414

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine (CID 63697022) is N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine is CCNC(CN(CC)CCOCC)c1ccc(CC)cc1.
What is the InChIKey of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine?
The InChIKey is FLDGHZOYKOKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-16-9-11-17(12-10-16)18(19-6-2)15-20(7-3)13-14-21-8-4/h9-12,18-19H,5-8,13-15H2,1-4H3.
What are the key properties of N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine?
N'-(2-ethoxyethyl)-N,N'-diethyl-1-(4-ethylphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.26, 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-ethylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 63697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).