2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol

C12H19NO2 — CID 131557071

IUPAC2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
SMILESCOc1cccc([C@@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-6-5-7-9(15-4)10(8)14/h5-7,11,14H,13H2,1-4H3/t11-/m1/s1
InChIKeyBPXDKJDMOKXTNI-LLVKDONJSA-N
MW209.29 g/mol
LogP2.45
Rot. Bonds2

About 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol

2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol (PubChem CID 131557071) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
PubChem CID131557071
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
SMILESCOc1cccc([C@@H](N)C(C)(C)C)c1O
InChIInChI=1S/C12H19NO2/c1-12(2,3)11(13)8-6-5-7-9(15-4)10(8)14/h5-7,11,14H,13H2,1-4H3/t11-/m1/s1
InChIKeyBPXDKJDMOKXTNI-LLVKDONJSA-N
XLogP2.45
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
2-[(1R)-1-amino-2,2-dimethylpropyl]-6-methylphenol
CID 130731500
2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
(1S)-1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171241429
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
(1S,2R)-1-amino-1-(2-methoxyphenyl)-3,3-dimethylbutan-2-ol
CID 171162425
2-[(S)-amino(cyclohexyl)methyl]-6-methoxyphenol
CID 171231900

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol?
The IUPAC name of 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol (CID 131557071) is 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol.
What is the SMILES notation for 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol?
The canonical SMILES for 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol is COc1cccc([C@@H](N)C(C)(C)C)c1O.
What is the InChIKey of 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol?
The InChIKey is BPXDKJDMOKXTNI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO2/c1-12(2,3)11(13)8-6-5-7-9(15-4)10(8)14/h5-7,11,14H,13H2,1-4H3/t11-/m1/s1.
What are the key properties of 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol?
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol has a molecular weight of 209.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol is sourced from PubChem (CID 131557071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).