2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol

C9H13NO2 — CID 55277705

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
SMILESCc1ccc([C@H](N)CO)c(O)c1
InChIInChI=1S/C9H13NO2/c1-6-2-3-7(8(10)5-11)9(12)4-6/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1
InChIKeyUEQGTBNKGUXJPW-MRVPVSSYSA-N
MW167.21 g/mol
LogP0.69
Rot. Bonds2

About 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol

2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol (PubChem CID 55277705) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
PubChem CID55277705
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
SMILESCc1ccc([C@H](N)CO)c(O)c1
InChIInChI=1S/C9H13NO2/c1-6-2-3-7(8(10)5-11)9(12)4-6/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1
InChIKeyUEQGTBNKGUXJPW-MRVPVSSYSA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[(1S)-1,2-diaminoethyl]-5-methylphenol
CID 55278369
(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
CID 171212431
2-[(1S)-1-aminobutyl]-5-methylphenol;hydrochloride
CID 171232006
2-[(1R)-1-amino-3-methylbutyl]-5-methylphenol;hydrochloride
CID 171212407
2-[(1S)-1-amino-2-methoxyethyl]-5-methylphenol
CID 55293424
(2R)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171221518
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)ethanol;hydrochloride
CID 171201973
2-[(1S)-1-amino-3,3-difluoropropyl]-5-methylphenol;hydrochloride
CID 171313260
2-[(1R)-1,4-diaminobutyl]-5-methylphenol;hydrochloride
CID 171212396
2-[(1S)-1-amino-3,3,3-trifluoropropyl]-5-methylphenol;hydrochloride
CID 171232014
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylbenzoic acid
CID 55274516

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol (CID 55277705) is 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol is Cc1ccc([C@H](N)CO)c(O)c1.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol?
The InChIKey is UEQGTBNKGUXJPW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-6-2-3-7(8(10)5-11)9(12)4-6/h2-4,8,11-12H,5,10H2,1H3/t8-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol?
2-[(1S)-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 2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol is sourced from PubChem (CID 55277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).