2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol

C10H15NO3 — CID 55277238

IUPAC2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc([C@H](N)CO)c1O
InChIInChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)10(13)9(4-6)14-2/h3-4,8,12-13H,5,11H2,1-2H3/t8-/m1/s1
InChIKeyLLZSJAGTBHPRTH-MRVPVSSYSA-N
MW197.23 g/mol
LogP0.70
Rot. Bonds3

About 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol

2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol (PubChem CID 55277238) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
PubChem CID55277238
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol
SMILESCOc1cc(C)cc([C@H](N)CO)c1O
InChIInChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)10(13)9(4-6)14-2/h3-4,8,12-13H,5,11H2,1-2H3/t8-/m1/s1
InChIKeyLLZSJAGTBHPRTH-MRVPVSSYSA-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

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-4-fluoro-6-methoxyphenol
CID 66514040
(2S)-2-amino-2-(2-methoxy-5-methylphenyl)ethanol
CID 55278412
(2S)-2-amino-2-(2-hydroxy-3-methoxy-5-methylphenyl)acetic acid
CID 66512366
2-amino-2-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 77129776
2-amino-2-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 77129779
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1S)-1-amino-2-hydroxyethyl]-4-methoxy-5-methylphenol
CID 55277131
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
(2R)-2-amino-2-(2,4,5-trimethoxyphenyl)ethanol
CID 42579772
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
2-[(1R)-1-amino-2-fluoroethyl]-4-fluoro-6-methoxyphenol
CID 131154819

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol?
The IUPAC name of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol (CID 55277238) is 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol?
The canonical SMILES for 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol is COc1cc(C)cc([C@H](N)CO)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol?
The InChIKey is LLZSJAGTBHPRTH-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-6-3-7(8(11)5-12)10(13)9(4-6)14-2/h3-4,8,12-13H,5,11H2,1-2H3/t8-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol?
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-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 2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxy-4-methylphenol is sourced from PubChem (CID 55277238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).