5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol

C12H19NO2 — CID 107700569

IUPAC5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
SMILESCc1ccc(NC(C)C(C)(C)O)cc1O
InChIInChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)14)13-9(2)12(3,4)15/h5-7,9,13-15H,1-4H3
InChIKeyLKAIYODTIORHEN-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.27
Rot. Bonds3

About 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol

5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol (PubChem CID 107700569) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol.

Molecular Properties

Compound Name5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
PubChem CID107700569
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol
SMILESCc1ccc(NC(C)C(C)(C)O)cc1O
InChIInChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)14)13-9(2)12(3,4)15/h5-7,9,13-15H,1-4H3
InChIKeyLKAIYODTIORHEN-UHFFFAOYSA-N
XLogP2.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dichloroanilino)-2-methylbutan-2-ol
CID 65333174
2-(3-hydroxy-4-methylanilino)propanoic acid
CID 107700440
3-(4-bromo-3,5-dimethylanilino)-2-methylbutan-2-ol
CID 107572119
2-methyl-5-[1-(4-propan-2-ylphenyl)ethylamino]phenol
CID 107699855
2-methyl-3-[4-methyl-3-(tetrazol-1-yl)anilino]butan-2-ol
CID 65338038
4-[(3-hydroxy-3-methylbutan-2-yl)amino]benzoic acid
CID 65332857
3-[3-chloro-4-(dimethylamino)anilino]-2-methylbutan-2-ol
CID 65338206
6-[(3-hydroxy-3-methylbutan-2-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
CID 65337980
5-(1-cyclobutylpropan-2-ylamino)-2-methylphenol
CID 107700272
5-[1-(2,4-difluorophenyl)ethylamino]-2-methylphenol
CID 107700745
2-chloro-5-[(3-hydroxy-3-methylbutan-2-yl)amino]-N-methylbenzamide
CID 65337999
5-(2-hydroxyethylamino)-2-methylphenol;hydrochloride
CID 172550087

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol?
The IUPAC name of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol (CID 107700569) is 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol.
What is the SMILES notation for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol?
The canonical SMILES for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol is Cc1ccc(NC(C)C(C)(C)O)cc1O.
What is the InChIKey of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol?
The InChIKey is LKAIYODTIORHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-8-5-6-10(7-11(8)14)13-9(2)12(3,4)15/h5-7,9,13-15H,1-4H3.
What are the key properties of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol?
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol has a molecular weight of 209.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylphenol is sourced from PubChem (CID 107700569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).