5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol

C10H15NO3 — CID 117287047

IUPAC5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)cc(C(N)CO)cc1O
InChIInChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)4-9(13)10(6)14-2/h3-4,8,12-13H,5,11H2,1-2H3
InChIKeyGVTYAESAMCBEGA-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.70
Rot. Bonds3

About 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol

5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol (PubChem CID 117287047) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol.

Molecular Properties

Compound Name5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
PubChem CID117287047
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
SMILESCOc1c(C)cc(C(N)CO)cc1O
InChIInChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)4-9(13)10(6)14-2/h3-4,8,12-13H,5,11H2,1-2H3
InChIKeyGVTYAESAMCBEGA-UHFFFAOYSA-N
XLogP0.70
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylbenzonitrile
CID 117294769
(4S)-4-amino-4-(4-methoxy-3,5-dimethylphenyl)butan-1-ol
CID 171231269
(2R)-2-amino-2-(3,5-dibromo-4-methoxyphenyl)ethanol
CID 66516252
2-amino-2-(3,5-difluoro-4-methoxyphenyl)ethanol
CID 67609119
3-amino-2-(3-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117323026
(1R)-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine;hydrochloride
CID 171211620
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
(1S)-3-fluoro-1-(4-methoxy-3,5-dimethylphenyl)propan-1-amine
CID 171231243
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918
3-(3-hydroxy-4-methoxy-5-methylphenyl)butanal
CID 117297473
(1R)-1-(4-methoxy-3,5-dimethylphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171211631

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol?
The IUPAC name of 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol (CID 117287047) is 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol.
What is the SMILES notation for 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol?
The canonical SMILES for 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol is COc1c(C)cc(C(N)CO)cc1O.
What is the InChIKey of 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol?
The InChIKey is GVTYAESAMCBEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)4-9(13)10(6)14-2/h3-4,8,12-13H,5,11H2,1-2H3.
What are the key properties of 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol?
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol has a molecular weight of 197.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol is sourced from PubChem (CID 117287047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).