N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine

C18H32N2O — CID 43125934

IUPACN',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)c1ccccc1OCC
InChIInChI=1S/C18H32N2O/c1-4-7-13-20(14-8-5-2)15-17(19)16-11-9-10-12-18(16)21-6-3/h9-12,17H,4-8,13-15,19H2,1-3H3
InChIKeyDZORRYMYXPDEJS-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.99
Rot. Bonds11

About N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine

N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine (PubChem CID 43125934) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
PubChem CID43125934
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CC(N)c1ccccc1OCC
InChIInChI=1S/C18H32N2O/c1-4-7-13-20(14-8-5-2)15-17(19)16-11-9-10-12-18(16)21-6-3/h9-12,17H,4-8,13-15,19H2,1-3H3
InChIKeyDZORRYMYXPDEJS-UHFFFAOYSA-N
XLogP3.99
TPSA38.49 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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-butyl-N'-ethyl-1-(2-methoxyphenyl)ethane-1,2-diamine
CID 18070854
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
1-(2-decoxyphenyl)propan-1-amine
CID 63501298
1-(2-nonoxyphenyl)propan-1-amine
CID 43129040
(1R)-1-(2-decoxyphenyl)propan-1-amine
CID 63485887
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
1-[2-(difluoromethoxy)phenyl]-N',N'-dipropylethane-1,2-diamine
CID 16794692
N'-cyclopropyl-1-(2-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43264145

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine (CID 43125934) is N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine is CCCCN(CCCC)CC(N)c1ccccc1OCC.
What is the InChIKey of N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine?
The InChIKey is DZORRYMYXPDEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-4-7-13-20(14-8-5-2)15-17(19)16-11-9-10-12-18(16)21-6-3/h9-12,17H,4-8,13-15,19H2,1-3H3.
What are the key properties of N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine?
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine has a molecular weight of 292.47 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine is sourced from PubChem (CID 43125934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).