3-(2-aminoethyl)-4,5-dimethoxyphenol

C10H15NO3 — CID 117287027

IUPAC3-(2-aminoethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CCN)c1OC
InChIInChI=1S/C10H15NO3/c1-13-9-6-8(12)5-7(3-4-11)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3
InChIKeyCECSQMYIEOJKKK-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.91
Rot. Bonds4

About 3-(2-aminoethyl)-4,5-dimethoxyphenol

3-(2-aminoethyl)-4,5-dimethoxyphenol (PubChem CID 117287027) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4,5-dimethoxyphenol.

Molecular Properties

Compound Name3-(2-aminoethyl)-4,5-dimethoxyphenol
PubChem CID117287027
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-(2-aminoethyl)-4,5-dimethoxyphenol
SMILESCOc1cc(O)cc(CCN)c1OC
InChIInChI=1S/C10H15NO3/c1-13-9-6-8(12)5-7(3-4-11)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3
InChIKeyCECSQMYIEOJKKK-UHFFFAOYSA-N
XLogP0.91
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-4,5-dimethoxyphenol
CID 117279442
3-[(hydroxyamino)methyl]-4,5-dimethoxyphenol
CID 117288363
2-(2,5-dimethoxy-3,4-dimethylphenyl)ethanamine
CID 22238091
4-(2-aminoethyl)-3-methoxy-5-methylphenol
CID 117278760
2-(4-bromo-2,3,5-trimethoxyphenyl)ethanamine
CID 162461406
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[5-(2-chlorophenyl)-2,3-dimethoxyphenyl]ethanamine
CID 82039087
3-[3-(2-aminoethyl)-4,5-dimethoxyphenyl]aniline
CID 82038903
3,4-dimethoxy-5-(piperidin-4-ylmethyl)phenol
CID 117381520
2-(6,7-dimethoxy-2,3-dihydro-1H-inden-4-yl)ethanamine
CID 54401717
4-methoxy-3,5-bis(methylperoxy)phenol
CID 174710880
2-[6-(2-aminoethyl)-1,5-dimethoxynaphthalen-2-yl]ethanamine
CID 170886567

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4,5-dimethoxyphenol?
The IUPAC name of 3-(2-aminoethyl)-4,5-dimethoxyphenol (CID 117287027) is 3-(2-aminoethyl)-4,5-dimethoxyphenol.
What is the SMILES notation for 3-(2-aminoethyl)-4,5-dimethoxyphenol?
The canonical SMILES for 3-(2-aminoethyl)-4,5-dimethoxyphenol is COc1cc(O)cc(CCN)c1OC.
What is the InChIKey of 3-(2-aminoethyl)-4,5-dimethoxyphenol?
The InChIKey is CECSQMYIEOJKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-13-9-6-8(12)5-7(3-4-11)10(9)14-2/h5-6,12H,3-4,11H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-4,5-dimethoxyphenol?
3-(2-aminoethyl)-4,5-dimethoxyphenol has a molecular weight of 197.23 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4,5-dimethoxyphenol is sourced from PubChem (CID 117287027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).