1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol

C14H23NO4 — CID 82073652

IUPAC1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)CCO)cc1OC
InChIInChI=1S/C14H23NO4/c1-15(8-9-16)7-6-12(17)11-4-5-13(18-2)14(10-11)19-3/h4-5,10,12,16-17H,6-9H2,1-3H3
InChIKeyRODXZBWWQWQRMN-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.05
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol

1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol (PubChem CID 82073652) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
PubChem CID82073652
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol
SMILESCOc1ccc(C(O)CCN(C)CCO)cc1OC
InChIInChI=1S/C14H23NO4/c1-15(8-9-16)7-6-12(17)11-4-5-13(18-2)14(10-11)19-3/h4-5,10,12,16-17H,6-9H2,1-3H3
InChIKeyRODXZBWWQWQRMN-UHFFFAOYSA-N
XLogP1.05
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-(3,4-dimethoxyphenyl)propane-1,3-diol
CID 92978371
1,6-bis(3,4-dimethoxyphenyl)hexane-1,6-diol
CID 118987415
1-(3,4-dimethoxyphenyl)-3-(N-methylanilino)propan-1-ol
CID 82073662
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)-4-methylpentan-1-ol
CID 61099857
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
3-(3,4-dimethoxyphenyl)pentane-1,5-diol
CID 15691833
1-(3,4-dimethoxyphenyl)-2-[methyl(2-propan-2-yloxyethyl)amino]ethanol
CID 81036228
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3,4-dimethoxyphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanol
CID 79845125
1-(3,4-dimethoxyphenyl)-3-methylbutan-1-ol
CID 58450006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol (CID 82073652) is 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol is COc1ccc(C(O)CCN(C)CCO)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol?
The InChIKey is RODXZBWWQWQRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-15(8-9-16)7-6-12(17)11-4-5-13(18-2)14(10-11)19-3/h4-5,10,12,16-17H,6-9H2,1-3H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol?
1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol has a molecular weight of 269.34 g/mol, XLogP of 1.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-[2-hydroxyethyl(methyl)amino]propan-1-ol is sourced from PubChem (CID 82073652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).