3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol

C10H15NO3 — CID 87901219

IUPAC3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol
SMILESCOc1c(CCO)cc(O)c(C)c1N
InChIInChI=1S/C10H15NO3/c1-6-8(13)5-7(3-4-12)10(14-2)9(6)11/h5,12-13H,3-4,11H2,1-2H3
InChIKeyXQBGBJGCKHZFCF-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.83
Rot. Bonds3

About 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol

3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol (PubChem CID 87901219) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol.

Molecular Properties

Compound Name3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol
PubChem CID87901219
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol
SMILESCOc1c(CCO)cc(O)c(C)c1N
InChIInChI=1S/C10H15NO3/c1-6-8(13)5-7(3-4-12)10(14-2)9(6)11/h5,12-13H,3-4,11H2,1-2H3
InChIKeyXQBGBJGCKHZFCF-UHFFFAOYSA-N
XLogP0.83
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 ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-3,4-dimethoxy-2-methylphenol
CID 102196644
2-(4-methoxy-2,3,5-trimethylphenyl)ethanol
CID 82469086
2-(4-bromo-2-methoxy-3,5-dimethylphenyl)ethanol
CID 117400972
2-amino-4-[(3-amino-4-hydroxy-2-methoxy-5-methylphenyl)methyl]-3-methoxy-6-methylphenol
CID 59194594
5-(hydroxymethyl)-3-methoxy-4-methylbenzene-1,2-diol
CID 91826699
1-(3-amino-5-hydroxy-2-methoxy-4-methylphenyl)-2,2,2-trifluoroethanone
CID 19821152
5-amino-4,6-dimethoxybenzene-1,3-diol
CID 45091349
2-(5-bromo-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 117447343
4-(2,5-dimethoxy-3,4-dimethylphenyl)butan-1-ol
CID 116926714
2-amino-4-[(3-amino-4-hydroxy-2,5-dimethoxyphenyl)methyl]-3,6-dimethoxyphenol
CID 59194580
2-[3-(azetidin-3-yl)-5-chloro-2-methoxy-4-methylphenyl]ethanol
CID 89422261
4-chloro-2-fluoro-6-(2-hydroxyethyl)-3-methoxyphenol
CID 117314991

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol?
The IUPAC name of 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol (CID 87901219) is 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol.
What is the SMILES notation for 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol?
The canonical SMILES for 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol is COc1c(CCO)cc(O)c(C)c1N.
What is the InChIKey of 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol?
The InChIKey is XQBGBJGCKHZFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-8(13)5-7(3-4-12)10(14-2)9(6)11/h5,12-13H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol?
3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol has a molecular weight of 197.23 g/mol, XLogP of 0.83, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-hydroxyethyl)-4-methoxy-2-methylphenol is sourced from PubChem (CID 87901219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).