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

C17H30N2O — CID 79477042

IUPAC1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(N)CN(CC)CC(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-14(4)12-19(6-2)13-17(18)15-8-10-16(11-9-15)20-7-3/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyVKWPNDJZOFRCQK-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.45
Rot. Bonds9

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

1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine (PubChem CID 79477042) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
PubChem CID79477042
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
SMILESCCOc1ccc(C(N)CN(CC)CC(C)CC)cc1
InChIInChI=1S/C17H30N2O/c1-5-14(4)12-19(6-2)13-17(18)15-8-10-16(11-9-15)20-7-3/h8-11,14,17H,5-7,12-13,18H2,1-4H3
InChIKeyVKWPNDJZOFRCQK-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

N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481917
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
N'-ethyl-N'-(2-methylpropyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43273657
1-(4-ethoxyphenyl)-2-methylbutan-1-amine
CID 12771706
N'-ethyl-N'-(2-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 79481346
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
(1R)-1-(4-ethoxyphenyl)propane-1,3-diamine;hydrochloride
CID 171200689
2-(4-ethoxyphenyl)pentan-3-amine
CID 79308575
1-(4-ethoxyphenyl)-N',N'-dimethylpropane-1,3-diamine
CID 112517875
N'-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79476746

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine (CID 79477042) is 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine is CCOc1ccc(C(N)CN(CC)CC(C)CC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine?
The InChIKey is VKWPNDJZOFRCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-5-14(4)12-19(6-2)13-17(18)15-8-10-16(11-9-15)20-7-3/h8-11,14,17H,5-7,12-13,18H2,1-4H3.
What are the key properties of 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine?
1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)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 1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 79477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).