(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol

C12H19NO3 — CID 40574216

IUPAC(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
SMILESCOc1ccc([C@H](O)CN(C)C)cc1OC
InChIInChI=1S/C12H19NO3/c1-13(2)8-10(14)9-5-6-11(15-3)12(7-9)16-4/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1
InChIKeyYAIPYAQVBZPSSC-SNVBAGLBSA-N
MW225.29 g/mol
LogP1.30
Rot. Bonds5

About (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol

(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol (PubChem CID 40574216) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol.

Molecular Properties

Compound Name(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
PubChem CID40574216
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol
SMILESCOc1ccc([C@H](O)CN(C)C)cc1OC
InChIInChI=1S/C12H19NO3/c1-13(2)8-10(14)9-5-6-11(15-3)12(7-9)16-4/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1
InChIKeyYAIPYAQVBZPSSC-SNVBAGLBSA-N
XLogP1.30
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethyl-methylamino]ethanol
CID 63699776
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61099857
2-chloro-2-(3,4-dimethoxyphenyl)-N,N-dimethylethanamine
CID 82214956
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
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
3-butan-2-yl-1-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylurea
CID 110629742

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol?
The IUPAC name of (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol (CID 40574216) is (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol.
What is the SMILES notation for (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol?
The canonical SMILES for (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol is COc1ccc([C@H](O)CN(C)C)cc1OC.
What is the InChIKey of (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol?
The InChIKey is YAIPYAQVBZPSSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(2)8-10(14)9-5-6-11(15-3)12(7-9)16-4/h5-7,10,14H,8H2,1-4H3/t10-/m1/s1.
What are the key properties of (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol?
(1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethanol is sourced from PubChem (CID 40574216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).