4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol

C13H21NO2 — CID 131427430

IUPAC4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)C(C)(C)CO)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8-5-10(6-9(2)11(8)16)12(14)13(3,4)7-15/h5-6,12,15-16H,7,14H2,1-4H3/t12-/m1/s1
InChIKeyXLRLYNYJOGBYHA-GFCCVEGCSA-N
MW223.32 g/mol
LogP2.03
Rot. Bonds3

About 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol

4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol (PubChem CID 131427430) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
PubChem CID131427430
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol
SMILESCc1cc([C@@H](N)C(C)(C)CO)cc(C)c1O
InChIInChI=1S/C13H21NO2/c1-8-5-10(6-9(2)11(8)16)12(14)13(3,4)7-15/h5-6,12,15-16H,7,14H2,1-4H3/t12-/m1/s1
InChIKeyXLRLYNYJOGBYHA-GFCCVEGCSA-N
XLogP2.03
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171239556
(3R)-3-amino-3-(3,5-dichlorophenyl)-2,2-dimethylpropan-1-ol
CID 131396220
(3R)-3-amino-3-(4-fluoro-3-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131494275
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-hydroxy-5-methylbenzoic acid
CID 171258273
(3S)-3-amino-3-(3-chloro-4-methylphenyl)-2,2-dimethylpropan-1-ol
CID 131397934
(3S)-3-amino-2,2-dimethyl-3-(2,4,6-trimethylphenyl)propan-1-ol
CID 131408123
3-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-4-hydroxy-5-methylbenzoic acid;hydrochloride
CID 171258274
4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 66037162
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-bromo-6-ethoxyphenol;hydrochloride
CID 171242179
5-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-nitrobenzene-1,2-diol;hydrochloride
CID 171246410
4-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2-fluorophenol
CID 131542060

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol (CID 131427430) is 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol is Cc1cc([C@@H](N)C(C)(C)CO)cc(C)c1O.
What is the InChIKey of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol?
The InChIKey is XLRLYNYJOGBYHA-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H21NO2/c1-8-5-10(6-9(2)11(8)16)12(14)13(3,4)7-15/h5-6,12,15-16H,7,14H2,1-4H3/t12-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol?
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol has a molecular weight of 223.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]-2,6-dimethylphenol is sourced from PubChem (CID 131427430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).