2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol

C10H15NO2 — CID 55293346

IUPAC2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@H](N)[C@H](C)O)c1
InChIInChI=1S/C10H15NO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyQPEHFQLNYKTGSB-OIBJUYFYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

About 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol

2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol (PubChem CID 55293346) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol.

Molecular Properties

Compound Name2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
PubChem CID55293346
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
SMILESCc1ccc(O)c([C@H](N)[C@H](C)O)c1
InChIInChI=1S/C10H15NO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m0/s1
InChIKeyQPEHFQLNYKTGSB-OIBJUYFYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
(1S)-1-amino-1-(2-bromo-5-methylphenyl)propan-2-ol
CID 130612521
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methoxyphenol
CID 130691846
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
CID 130749871
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4-methoxyphenol;hydrochloride
CID 171267529
4-methyl-2-[1,2,2-tris(2-hydroxy-5-methylphenyl)ethyl]phenol
CID 154108469
(1R,2S)-1-amino-1-(2-bromo-4-methylphenyl)propan-2-ol;hydrochloride
CID 171261686
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-nitrophenol
CID 131546874
2-[(1R)-1,3-diaminopropyl]-4-methylphenol
CID 130972220
2-(5-amino-4-hydroxyheptan-2-yl)-4-methylphenol
CID 83922921

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The IUPAC name of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol (CID 55293346) is 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol.
What is the SMILES notation for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The canonical SMILES for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol is Cc1ccc(O)c([C@H](N)[C@H](C)O)c1.
What is the InChIKey of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol?
The InChIKey is QPEHFQLNYKTGSB-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-3-4-9(13)8(5-6)10(11)7(2)12/h3-5,7,10,12-13H,11H2,1-2H3/t7-,10+/m0/s1.
What are the key properties of 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol?
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol has a molecular weight of 181.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol is sourced from PubChem (CID 55293346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).