2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol

C11H17NO2 — CID 130749871

IUPAC2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
SMILESCc1cc(O)c([C@@H](N)[C@@H](C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-6-4-9(11(12)8(3)13)10(14)5-7(6)2/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11+/m1/s1
InChIKeyCBEMYPFWWLODHL-KCJUWKMLSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol

2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol (PubChem CID 130749871) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol.

Molecular Properties

Compound Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
PubChem CID130749871
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol
SMILESCc1cc(O)c([C@@H](N)[C@@H](C)O)cc1C
InChIInChI=1S/C11H17NO2/c1-6-4-9(11(12)8(3)13)10(14)5-7(6)2/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11+/m1/s1
InChIKeyCBEMYPFWWLODHL-KCJUWKMLSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
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

4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-difluorophenol
CID 131057025
2-[(1S,2S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 55293346
2-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,4-diol
CID 130731355
(1R,2S)-1-amino-1-(4-bromo-2,5-dimethylphenyl)propan-2-ol
CID 130730181
3-[(1S)-1-amino-2-hydroxypropyl]-4-methylphenol
CID 131037954
4-[(1S,2R)-1-amino-2-hydroxypropyl]-3-methylphenol
CID 130650619
2-[(1S,2S)-1-amino-2-hydroxypropyl]-5-bromophenol
CID 130691450
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1S,2R)-1-amino-1-(4-amino-2-chloro-5-methylphenyl)propan-2-ol
CID 131033842
3-[(1R,2R)-1-amino-2-hydroxypropyl]-2-methylphenol
CID 130792014
(1R,2R)-1-amino-1-(2,4-dimethylphenyl)propan-2-ol
CID 131023872

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol?
The IUPAC name of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol (CID 130749871) is 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol.
What is the SMILES notation for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol?
The canonical SMILES for 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol is Cc1cc(O)c([C@@H](N)[C@@H](C)O)cc1C.
What is the InChIKey of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol?
The InChIKey is CBEMYPFWWLODHL-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H17NO2/c1-6-4-9(11(12)8(3)13)10(14)5-7(6)2/h4-5,8,11,13-14H,12H2,1-3H3/t8-,11+/m1/s1.
What are the key properties of 2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol?
2-[(1R,2R)-1-amino-2-hydroxypropyl]-4,5-dimethylphenol has a molecular weight of 195.26 g/mol, XLogP of 1.39, 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]-4,5-dimethylphenol is sourced from PubChem (CID 130749871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).