1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol

C15H26N2O3 — CID 63699776

IUPAC1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C15H26N2O3/c1-16(2)8-9-17(3)11-13(18)12-6-7-14(19-4)15(10-12)20-5/h6-7,10,13,18H,8-9,11H2,1-5H3
InChIKeyCHQJIVZGYBEOHJ-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.23
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol (PubChem CID 63699776) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
PubChem CID63699776
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCN(C)C)cc1OC
InChIInChI=1S/C15H26N2O3/c1-16(2)8-9-17(3)11-13(18)12-6-7-14(19-4)15(10-12)20-5/h6-7,10,13,18H,8-9,11H2,1-5H3
InChIKeyCHQJIVZGYBEOHJ-UHFFFAOYSA-N
XLogP1.23
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
1-(3,4-dimethoxyphenyl)-N'-[2-(dimethylamino)ethyl]-N,N'-dimethylethane-1,2-diamine
CID 63693627
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
2-[3-(dimethylamino)propyl-methylamino]-1-(4-methoxyphenyl)ethanol
CID 63698745
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
3-[3-[[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
CID 13319944
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol (CID 63699776) is 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol is COc1ccc(C(O)CN(C)CCN(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol?
The InChIKey is CHQJIVZGYBEOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-16(2)8-9-17(3)11-13(18)12-6-7-14(19-4)15(10-12)20-5/h6-7,10,13,18H,8-9,11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol?
1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol has a molecular weight of 282.38 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol is sourced from PubChem (CID 63699776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).