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

C9H13NO2 — CID 84765201

IUPAC3-(1-amino-2-hydroxyethyl)-5-methylphenol
SMILESCc1cc(O)cc(C(N)CO)c1
InChIInChI=1S/C9H13NO2/c1-6-2-7(9(10)5-11)4-8(12)3-6/h2-4,9,11-12H,5,10H2,1H3
InChIKeyLRDCFRCYNOPKCL-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds2

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

3-(1-amino-2-hydroxyethyl)-5-methylphenol (PubChem CID 84765201) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-(1-amino-2-hydroxyethyl)-5-methylphenol.

Molecular Properties

Compound Name3-(1-amino-2-hydroxyethyl)-5-methylphenol
PubChem CID84765201
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name3-(1-amino-2-hydroxyethyl)-5-methylphenol
SMILESCc1cc(O)cc(C(N)CO)c1
InChIInChI=1S/C9H13NO2/c1-6-2-7(9(10)5-11)4-8(12)3-6/h2-4,9,11-12H,5,10H2,1H3
InChIKeyLRDCFRCYNOPKCL-UHFFFAOYSA-N
XLogP0.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
1-(3-hydroxy-5-methylphenyl)propane-1,2,3-triol
CID 170817493
3-(1-aminopropan-2-yl)-5-methylphenol
CID 83694991
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
4-[(1R)-1-amino-2-hydroxyethyl]phenol
CID 45083049
3-[(R)-amino(cyclobutyl)methyl]-5-methylphenol
CID 131036736
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
4-[(1R)-1-amino-2-hydroxyethyl]-2,6-dimethylbenzonitrile
CID 130668278
5-[(1S)-1-aminobutyl]benzene-1,3-diol;hydrochloride
CID 171219418

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-hydroxyethyl)-5-methylphenol?
The IUPAC name of 3-(1-amino-2-hydroxyethyl)-5-methylphenol (CID 84765201) is 3-(1-amino-2-hydroxyethyl)-5-methylphenol.
What is the SMILES notation for 3-(1-amino-2-hydroxyethyl)-5-methylphenol?
The canonical SMILES for 3-(1-amino-2-hydroxyethyl)-5-methylphenol is Cc1cc(O)cc(C(N)CO)c1.
What is the InChIKey of 3-(1-amino-2-hydroxyethyl)-5-methylphenol?
The InChIKey is LRDCFRCYNOPKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-2-7(9(10)5-11)4-8(12)3-6/h2-4,9,11-12H,5,10H2,1H3.
What are the key properties of 3-(1-amino-2-hydroxyethyl)-5-methylphenol?
3-(1-amino-2-hydroxyethyl)-5-methylphenol has a molecular weight of 167.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-hydroxyethyl)-5-methylphenol is sourced from PubChem (CID 84765201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).