2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol

C10H15NO4 — CID 84679635

IUPAC2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
SMILESCOc1ccc(O)c(C(O)CN)c1OC
InChIInChI=1S/C10H15NO4/c1-14-8-4-3-6(12)9(7(13)5-11)10(8)15-2/h3-4,7,12-13H,5,11H2,1-2H3
InChIKeyCUGUKKGROISSAR-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.40
Rot. Bonds4

About 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol

2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol (PubChem CID 84679635) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol.

Molecular Properties

Compound Name2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
PubChem CID84679635
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
SMILESCOc1ccc(O)c(C(O)CN)c1OC
InChIInChI=1S/C10H15NO4/c1-14-8-4-3-6(12)9(7(13)5-11)10(8)15-2/h3-4,7,12-13H,5,11H2,1-2H3
InChIKeyCUGUKKGROISSAR-UHFFFAOYSA-N
XLogP0.40
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
CID 84785759
3-(6-hydroxy-2,3-dimethoxyphenyl)butanal
CID 117321701
2-(3-amino-1-hydroxypropyl)-3-fluoro-4-methoxyphenol
CID 84783831
2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
2-(2-amino-1-hydroxyethyl)-3-ethoxyphenol
CID 18627913
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
6-[(1S)-1,2-diaminoethyl]-2,3-dimethoxyphenol
CID 66516816
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol?
The IUPAC name of 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol (CID 84679635) is 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol.
What is the SMILES notation for 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol?
The canonical SMILES for 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol is COc1ccc(O)c(C(O)CN)c1OC.
What is the InChIKey of 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol?
The InChIKey is CUGUKKGROISSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-14-8-4-3-6(12)9(7(13)5-11)10(8)15-2/h3-4,7,12-13H,5,11H2,1-2H3.
What are the key properties of 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol?
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol has a molecular weight of 213.23 g/mol, XLogP of 0.40, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol is sourced from PubChem (CID 84679635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).