2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol

C12H19NO3 — CID 61048531

IUPAC2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-4-13-10(8-14)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,13-14H,4,8H2,1-3H3
InChIKeyILMDOAXPOGKWBB-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.35
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol

2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol (PubChem CID 61048531) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
PubChem CID61048531
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol
SMILESCCNC(CO)c1ccc(OC)c(OC)c1
InChIInChI=1S/C12H19NO3/c1-4-13-10(8-14)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,13-14H,4,8H2,1-3H3
InChIKeyILMDOAXPOGKWBB-UHFFFAOYSA-N
XLogP1.35
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-ethylethane-1,2-diamine
CID 62066206
1-(3,4-dimethoxyphenyl)-4-ethoxy-N-ethylbutan-1-amine
CID 105141191
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752
2-butylsulfanyl-1-(3,4-dimethoxyphenyl)-N-ethylethanamine
CID 64609867
methyl 2-(3,4-dimethoxyphenyl)-2-(ethylamino)acetate
CID 60788044
1-(3,4-dimethoxyphenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79190712
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 62125915
1-(3,4-dimethoxyphenyl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 83175883
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
1-(3,4-dimethoxyphenyl)-N-propylbutan-1-amine
CID 43494599
1-(3,4-dimethoxyphenyl)-N-[(3,4-dimethoxyphenyl)methyl]propan-1-amine
CID 57046449

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol (CID 61048531) is 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol is CCNC(CO)c1ccc(OC)c(OC)c1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol?
The InChIKey is ILMDOAXPOGKWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-4-13-10(8-14)9-5-6-11(15-2)12(7-9)16-3/h5-7,10,13-14H,4,8H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol?
2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-2-(ethylamino)ethanol is sourced from PubChem (CID 61048531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).