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

C12H19NO — CID 130731500

IUPAC2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
SMILESCc1cccc([C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H19NO/c1-8-6-5-7-9(10(8)14)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3/t11-/m0/s1
InChIKeyAWGBNHNQWIUHFK-NSHDSACASA-N
MW193.29 g/mol
LogP2.75
Rot. Bonds1

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

2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol (PubChem CID 130731500) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
PubChem CID130731500
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
SMILESCc1cccc([C@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H19NO/c1-8-6-5-7-9(10(8)14)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3/t11-/m0/s1
InChIKeyAWGBNHNQWIUHFK-NSHDSACASA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methylphenol
CID 131543744
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
3-[(1R)-1-amino-2,2-dimethylpropyl]-2-fluorophenol
CID 131151312
2-[(1R,2R)-1-amino-2-hydroxypropyl]-6-methylphenol
CID 131181882
methyl (2R)-2-amino-2-(2-hydroxy-3-methylphenyl)acetate
CID 130649312
3-(1-amino-2,2-dimethylpropyl)-2-methylaniline
CID 130042028
2-[(1S)-1,2-diaminoethyl]-6-methylphenol;hydrochloride
CID 171212487
2-[(2-hydroxy-3-methylphenyl)-(2-hydroxyphenyl)methyl]-6-methylphenol
CID 141022269
chloromethane;ethyl 3-amino-3-(2-hydroxy-3-methylphenyl)propanoate
CID 142920722
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-6-methylphenol
CID 171270321
(3S)-3-amino-3-(2-hydroxy-3-methylphenyl)propanenitrile
CID 130632734
2-[(1R)-1-amino-4-hydroxybutyl]-6-methylphenol;hydrochloride
CID 171212526

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol?
The IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol (CID 130731500) is 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol?
The canonical SMILES for 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol is Cc1cccc([C@H](N)C(C)(C)C)c1O.
What is the InChIKey of 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol?
The InChIKey is AWGBNHNQWIUHFK-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO/c1-8-6-5-7-9(10(8)14)11(13)12(2,3)4/h5-7,11,14H,13H2,1-4H3/t11-/m0/s1.
What are the key properties of 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol?
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol has a molecular weight of 193.29 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol is sourced from PubChem (CID 130731500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).