1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C15H26N2O2 — CID 61451424

IUPAC1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C(C)COC
InChIInChI=1S/C15H26N2O2/c1-5-19-15-9-7-6-8-13(15)14(16)10-17(3)12(2)11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyUXTKOPVVAHOSSG-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.05
Rot. Bonds8

About 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 61451424) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID61451424
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCOc1ccccc1C(N)CN(C)C(C)COC
InChIInChI=1S/C15H26N2O2/c1-5-19-15-9-7-6-8-13(15)14(16)10-17(3)12(2)11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3
InChIKeyUXTKOPVVAHOSSG-UHFFFAOYSA-N
XLogP2.05
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethoxyphenyl)-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 16788139
1-(2-fluorophenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 114058272
1-(2-ethoxyphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570986
1-(2-ethoxyphenyl)-N'-methyl-N'-(2-methylbutyl)ethane-1,2-diamine
CID 43295700
1-(2,4-dimethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453473
(1R)-1-(2-ethoxyphenyl)-2-fluoroethanamine
CID 124705479
N'-[2-(dimethylamino)ethyl]-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 55228302
(1S)-1-(2-ethoxyphenyl)propan-1-amine;hydrochloride
CID 171221746
N',N'-dibutyl-1-(2-ethoxyphenyl)ethane-1,2-diamine
CID 43125934
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
N'-ethyl-1-(2-methoxyphenyl)-N'-methylethane-1,2-diamine
CID 43263333

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 61451424) is 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is CCOc1ccccc1C(N)CN(C)C(C)COC.
What is the InChIKey of 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is UXTKOPVVAHOSSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-19-15-9-7-6-8-13(15)14(16)10-17(3)12(2)11-18-4/h6-9,12,14H,5,10-11,16H2,1-4H3.
What are the key properties of 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 61451424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).