2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol

C10H15NO2 — CID 131181882

IUPAC2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
SMILESCc1cccc([C@@H](N)[C@@H](C)O)c1O
InChIInChI=1S/C10H15NO2/c1-6-4-3-5-8(10(6)13)9(11)7(2)12/h3-5,7,9,12-13H,11H2,1-2H3/t7-,9+/m1/s1
InChIKeyDOMHPPRYEREMRF-APPZFPTMSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds2

About 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol

2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol (PubChem CID 131181882) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
PubChem CID131181882
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
SMILESCc1cccc([C@@H](N)[C@@H](C)O)c1O
InChIInChI=1S/C10H15NO2/c1-6-4-3-5-8(10(6)13)9(11)7(2)12/h3-5,7,9,12-13H,11H2,1-2H3/t7-,9+/m1/s1
InChIKeyDOMHPPRYEREMRF-APPZFPTMSA-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'}

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Related Compounds

3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
(1S)-1-amino-1-(2-fluoro-3-methylphenyl)propan-2-ol
CID 131081645
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
3-(1-amino-2-hydroxypropyl)-2-hydroxybenzonitrile
CID 130001192
2-[(1R,2S)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-methylphenol;hydrochloride
CID 171264654
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-(1-amino-2-hydroxypropyl)-3,6-dimethylphenol
CID 130059979
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
6-[(1R,2R)-1-amino-2-hydroxypropyl]-3-chloro-2-methylphenol
CID 130656193

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol?
The IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol (CID 131181882) is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol.
What is the SMILES notation for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol?
The canonical SMILES for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol is Cc1cccc([C@@H](N)[C@@H](C)O)c1O.
What is the InChIKey of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol?
The InChIKey is DOMHPPRYEREMRF-APPZFPTMSA-N. The full InChI is InChI=1S/C10H15NO2/c1-6-4-3-5-8(10(6)13)9(11)7(2)12/h3-5,7,9,12-13H,11H2,1-2H3/t7-,9+/m1/s1.
What are the key properties of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol?
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-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-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol is sourced from PubChem (CID 131181882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).