1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol

C16H27NO4 — CID 81036228

IUPAC1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCOC(C)C)cc1OC
InChIInChI=1S/C16H27NO4/c1-12(2)21-9-8-17(3)11-14(18)13-6-7-15(19-4)16(10-13)20-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3
InChIKeyFHYVYBCQPIQBDW-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.09
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol

1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol (PubChem CID 81036228) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
PubChem CID81036228
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
SMILESCOc1ccc(C(O)CN(C)CCOC(C)C)cc1OC
InChIInChI=1S/C16H27NO4/c1-12(2)21-9-8-17(3)11-14(18)13-6-7-15(19-4)16(10-13)20-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3
InChIKeyFHYVYBCQPIQBDW-UHFFFAOYSA-N
XLogP2.09
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
CID 40574216
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
2-[methyl(2-propan-2-yloxyethyl)amino]-1-(4-propylphenyl)ethanol
CID 81061903
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
CID 82073652
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]benzenecarboximidamide
CID 81056628
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-N'-methyl-N'-propylethane-1,2-diamine
CID 43271198
2-methoxy-5-[[methyl(2-propan-2-yloxyethyl)amino]methyl]phenol
CID 79310118

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol (CID 81036228) is 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol is COc1ccc(C(O)CN(C)CCOC(C)C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol?
The InChIKey is FHYVYBCQPIQBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12(2)21-9-8-17(3)11-14(18)13-6-7-15(19-4)16(10-13)20-5/h6-7,10,12,14,18H,8-9,11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol?
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol has a molecular weight of 297.40 g/mol, XLogP of 2.09, 9 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-[methyl(2-propan-2-yloxyethyl)amino]ethanol is sourced from PubChem (CID 81036228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).