2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol

C10H15NO2 — CID 130715029

IUPAC2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
SMILESCc1ccc([C@](C)(N)CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-3-4-8(9(13)5-7)10(2,11)6-12/h3-5,12-13H,6,11H2,1-2H3/t10-/m1/s1
InChIKeyHZBGWHJPFIVGIK-SNVBAGLBSA-N
MW181.23 g/mol
LogP0.87
Rot. Bonds2

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

2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol (PubChem CID 130715029) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol.

Molecular Properties

Compound Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
PubChem CID130715029
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol
SMILESCc1ccc([C@](C)(N)CO)c(O)c1
InChIInChI=1S/C10H15NO2/c1-7-3-4-8(9(13)5-7)10(2,11)6-12/h3-5,12-13H,6,11H2,1-2H3/t10-/m1/s1
InChIKeyHZBGWHJPFIVGIK-SNVBAGLBSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.87
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

5-amino-2-(2-amino-1-hydroxypropan-2-yl)phenol
CID 130001728
(2S)-2-amino-2-(2-fluoro-4-methylphenyl)propan-1-ol
CID 55262273
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,5-dimethylphenol
CID 130610700
2-[(2S)-2-amino-1-hydroxypropan-2-yl]benzene-1,4-diol
CID 130682329
4-[(2R)-2-amino-4-hydroxybutan-2-yl]benzene-1,3-diol
CID 130673719
5-methyl-2-[2-methyl-1-(methylamino)propan-2-yl]phenol
CID 83698360
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-4,6-dimethylphenol
CID 131196188
4-amino-4-(2,4-dimethylphenyl)pentan-1-ol
CID 116861683
(3S)-3-amino-3-(2-chloro-4-methylphenyl)butan-1-ol
CID 130615118
2-amino-6-[(2R)-2-amino-1-hydroxypropan-2-yl]-4-methylphenol
CID 55262663
2-amino-2-(4-chloro-2-methylphenyl)propan-1-ol
CID 55270459
[(2S)-2-(2-hydroxy-4-methylphenyl)-2-methoxypropyl] 2-methylpropanoate
CID 162879013

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol?
The IUPAC name of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol (CID 130715029) is 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol.
What is the SMILES notation for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol?
The canonical SMILES for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol is Cc1ccc([C@](C)(N)CO)c(O)c1.
What is the InChIKey of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol?
The InChIKey is HZBGWHJPFIVGIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-3-4-8(9(13)5-7)10(2,11)6-12/h3-5,12-13H,6,11H2,1-2H3/t10-/m1/s1.
What are the key properties of 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol?
2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-amino-1-hydroxypropan-2-yl]-5-methylphenol is sourced from PubChem (CID 130715029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).