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

C18H32N2O — CID 79481917

IUPACN'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(19)14-20(7-3)13-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3
InChIKeyVIJGHFOSUWOKIH-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.84
Rot. Bonds10

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

N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (PubChem CID 79481917) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
PubChem CID79481917
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
SMILESCCCOc1ccc(C(N)CN(CC)CC(C)CC)cc1
InChIInChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(19)14-20(7-3)13-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3
InChIKeyVIJGHFOSUWOKIH-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

1-(4-ethoxyphenyl)-N'-ethyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 79477042
N',N'-dimethyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 16784602
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
N-ethyl-N-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 79481726
N'-methyl-N'-(3-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 61429545
4-[2-[ethyl(2-methylbutyl)amino]ethoxy]aniline
CID 79477986
(1R)-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 66516534
N',N'-diethyl-1-(4-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 16781981
1-[4-[2-(diethylamino)ethoxy]phenyl]butan-1-amine
CID 66822143
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
N'-(2-ethoxyethyl)-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 81055375
1-(4-propoxyphenyl)pentan-1-amine
CID 79016312

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine (CID 79481917) is N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is CCCOc1ccc(C(N)CN(CC)CC(C)CC)cc1.
What is the InChIKey of N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
The InChIKey is VIJGHFOSUWOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-12-21-17-10-8-16(9-11-17)18(19)14-20(7-3)13-15(4)6-2/h8-11,15,18H,5-7,12-14,19H2,1-4H3.
What are the key properties of N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine?
N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)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 N'-ethyl-N'-(2-methylbutyl)-1-(4-propoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 79481917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).