5-methyl-4-(methylamino)-2-propan-2-ylphenol

C11H17NO — CID 82266002

IUPAC5-methyl-4-(methylamino)-2-propan-2-ylphenol
SMILESCNc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C11H17NO/c1-7(2)9-6-10(12-4)8(3)5-11(9)13/h5-7,12-13H,1-4H3
InChIKeyVOEPDVRLAIIUJS-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.87
Rot. Bonds2

About 5-methyl-4-(methylamino)-2-propan-2-ylphenol

5-methyl-4-(methylamino)-2-propan-2-ylphenol (PubChem CID 82266002) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 5-methyl-4-(methylamino)-2-propan-2-ylphenol.

Molecular Properties

Compound Name5-methyl-4-(methylamino)-2-propan-2-ylphenol
PubChem CID82266002
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name5-methyl-4-(methylamino)-2-propan-2-ylphenol
SMILESCNc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C11H17NO/c1-7(2)9-6-10(12-4)8(3)5-11(9)13/h5-7,12-13H,1-4H3
InChIKeyVOEPDVRLAIIUJS-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 5-methyl-4-(methylamino)-2-propan-2-ylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
2,4-dimethyl-5-(methylamino)phenol
CID 22942479
4-chloro-5-methyl-2-propan-2-ylphenol
CID 160599975
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
2-amino-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzenesulfonamide
CID 5268876
2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 75386664
4-hydroxy-2-methyl-5-propan-2-ylbenzohydrazide
CID 83386284
1-(3,5-dichlorophenyl)-3-(4-hydroxy-2-methyl-5-propan-2-ylanilino)prop-2-en-1-one
CID 4775708

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(methylamino)-2-propan-2-ylphenol?
The IUPAC name of 5-methyl-4-(methylamino)-2-propan-2-ylphenol (CID 82266002) is 5-methyl-4-(methylamino)-2-propan-2-ylphenol.
What is the SMILES notation for 5-methyl-4-(methylamino)-2-propan-2-ylphenol?
The canonical SMILES for 5-methyl-4-(methylamino)-2-propan-2-ylphenol is CNc1cc(C(C)C)c(O)cc1C.
What is the InChIKey of 5-methyl-4-(methylamino)-2-propan-2-ylphenol?
The InChIKey is VOEPDVRLAIIUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(2)9-6-10(12-4)8(3)5-11(9)13/h5-7,12-13H,1-4H3.
What are the key properties of 5-methyl-4-(methylamino)-2-propan-2-ylphenol?
5-methyl-4-(methylamino)-2-propan-2-ylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(methylamino)-2-propan-2-ylphenol is sourced from PubChem (CID 82266002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).