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

C18H32N2O — CID 61437255

IUPAC1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)N(CC)CC(CC)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-15(6-2)14-20(7-3)18(13-19)16-9-11-17(12-10-16)21-8-4/h9-12,15,18H,5-8,13-14,19H2,1-4H3
InChIKeyZNSUSLJQSLGLAQ-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds10

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

1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine (PubChem CID 61437255) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
PubChem CID61437255
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(CN)N(CC)CC(CC)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-15(6-2)14-20(7-3)18(13-19)16-9-11-17(12-10-16)21-8-4/h9-12,15,18H,5-8,13-14,19H2,1-4H3
InChIKeyZNSUSLJQSLGLAQ-UHFFFAOYSA-N
XLogP3.84
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-N-(2-ethylbutyl)-1-(4-methoxyphenyl)ethane-1,2-diamine
CID 61437202
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N,N-diethyl-1-(4-pentoxyphenyl)ethane-1,2-diamine
CID 82043554
1-(4-bromo-3-fluorophenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 81436639
N-ethyl-N-(2-ethylbutyl)-1-(4-fluoro-3-methylphenyl)ethane-1,2-diamine
CID 62121838
1-(4-ethoxyphenyl)-N,N-diethylbutan-1-amine
CID 23618972
1-(3-ethoxyphenyl)-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 60874089
1-[4-(difluoromethyl)phenyl]-N-ethyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 115524233
N,N-diethyl-1-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 16791138
1-(4-ethoxyphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658133
1-(2,3-dimethylphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine
CID 63471957
1-(4-ethoxyphenyl)-N,N,3-trimethylbutane-1,4-diamine
CID 116905470

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine (CID 61437255) is 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine is CCOc1ccc(C(CN)N(CC)CC(CC)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine?
The InChIKey is ZNSUSLJQSLGLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-15(6-2)14-20(7-3)18(13-19)16-9-11-17(12-10-16)21-8-4/h9-12,15,18H,5-8,13-14,19H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.84, 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-ethyl-N-(2-ethylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 61437255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).