4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol

C12H19NO2 — CID 66037162

IUPAC4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(C)(C)N)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-7-5-9(6-8(2)10(7)14)11(15)12(3,4)13/h5-6,11,14-15H,13H2,1-4H3
InChIKeyBBMZVKFPMMBDCJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds2

About 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol

4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol (PubChem CID 66037162) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
PubChem CID66037162
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
SMILESCc1cc(C(O)C(C)(C)N)cc(C)c1O
InChIInChI=1S/C12H19NO2/c1-7-5-9(6-8(2)10(7)14)11(15)12(3,4)13/h5-6,11,14-15H,13H2,1-4H3
InChIKeyBBMZVKFPMMBDCJ-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
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-dimethylphenol
CID 131427430
4-(2-aminopropan-2-yl)-2,6-dimethylphenol
CID 23620728
2-amino-1-(4-amino-3,5-dichlorophenyl)-2-methylpropan-1-ol
CID 67566267
(1S)-2-amino-2-methyl-1-phenylpropan-1-ol
CID 38988546
4-(1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 145140633
4-[1-(4-hydroxy-3,5-dimethylphenyl)-2,2-dimethylpropyl]-2,6-dimethylphenol;N-methylmethanamine
CID 23282271
4-[(1S)-3-amino-1-hydroxypropyl]-2,6-dimethylphenol
CID 96682617
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2,6-dimethylphenol
CID 131404150
4-[(1S)-1-amino-2,2-difluoroethyl]-2,6-dimethylphenol
CID 130606712
tert-butyl-[2-hydroxy-2-(4-hydroxy-3,5-dimethylphenyl)ethyl]azanium chloride
CID 110177996
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol (CID 66037162) is 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol is Cc1cc(C(O)C(C)(C)N)cc(C)c1O.
What is the InChIKey of 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
The InChIKey is BBMZVKFPMMBDCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7-5-9(6-8(2)10(7)14)11(15)12(3,4)13/h5-6,11,14-15H,13H2,1-4H3.
What are the key properties of 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol?
4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol has a molecular weight of 209.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol is sourced from PubChem (CID 66037162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).