N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine

C17H30N2O — CID 61437202

IUPACN-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O/c1-5-14(6-2)13-19(7-3)17(12-18)15-8-10-16(20-4)11-9-15/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeySBIXUAGIXAJDML-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds9

About N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine

N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine (PubChem CID 61437202) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
PubChem CID61437202
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
SMILESCCC(CC)CN(CC)C(CN)c1ccc(OC)cc1
InChIInChI=1S/C17H30N2O/c1-5-14(6-2)13-19(7-3)17(12-18)15-8-10-16(20-4)11-9-15/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeySBIXUAGIXAJDML-UHFFFAOYSA-N
XLogP3.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 61437255
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-(cyanomethyl)amino]acetonitrile
CID 55015615
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-ethylamino]-N-methylacetamide
CID 55015522
1-(4-methoxyphenyl)-N-methyl-N-pentan-3-ylethane-1,2-diamine
CID 43570775
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838
N-ethyl-1-(6-methoxynaphthalen-2-yl)-N-propylethane-1,2-diamine
CID 43268541
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 81436639
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
1-(3,4-dimethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 43273497
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
2-[[2-amino-1-(4-methoxyphenyl)ethyl]-butylamino]ethanol
CID 55015957
(1S)-N,N-diethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 9450069

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine (CID 61437202) is N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine is CCC(CC)CN(CC)C(CN)c1ccc(OC)cc1.
What is the InChIKey of N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine?
The InChIKey is SBIXUAGIXAJDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-14(6-2)13-19(7-3)17(12-18)15-8-10-16(20-4)11-9-15/h8-11,14,17H,5-7,12-13,18H2,1-4H3.
What are the key properties of N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine?
N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.45, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61437202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).