4-(2-aminopropan-2-yl)-2,6-dimethylphenol

C11H17NO — CID 23620728

IUPAC4-(2-aminopropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(C(C)(C)N)cc(C)c1O
InChIInChI=1S/C11H17NO/c1-7-5-9(11(3,4)12)6-8(2)10(7)13/h5-6,13H,12H2,1-4H3
InChIKeySKQAYVLJACJCQA-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.20
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-2,6-dimethylphenol

4-(2-aminopropan-2-yl)-2,6-dimethylphenol (PubChem CID 23620728) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2,6-dimethylphenol
PubChem CID23620728
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name4-(2-aminopropan-2-yl)-2,6-dimethylphenol
SMILESCc1cc(C(C)(C)N)cc(C)c1O
InChIInChI=1S/C11H17NO/c1-7-5-9(11(3,4)12)6-8(2)10(7)13/h5-6,13H,12H2,1-4H3
InChIKeySKQAYVLJACJCQA-UHFFFAOYSA-N
XLogP2.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802497
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
4-(2-amino-1-hydroxy-2-methylpropyl)-2,6-dimethylphenol
CID 66037162
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
4-[1-(4-hydroxy-3,5-dimethylphenyl)-1-(2-methylphenyl)ethyl]-2,6-dimethylphenol
CID 21020630
4-tert-butyl-2,6-dimethylphenol;octa-2,4,6-triyne;hydrate
CID 157373882
2-(3-chloro-4-fluoro-5-methylphenyl)propan-2-amine
CID 117290497
4-(2-bromo-1,1,2,2-tetrafluoroethyl)-2,6-dimethylphenol
CID 121234611
4-[2-(3,5-diethyl-4-hydroxyphenyl)propan-2-yl]-2,6-diethylphenol;4-[2-(4-hydroxy-3,5-dimethylphenyl)propan-2-yl]-2,6-dimethylphenol
CID 67945373
5-(2-aminopropan-2-yl)-3-fluoro-2-hydroxybenzoic acid
CID 117303699
5-(2-aminopropan-2-yl)-2-methylaniline
CID 84651979
4-tert-butyl-2-[(5-tert-butyl-2-hydroxy-3-methylphenyl)disulfanyl]-6-methylphenol
CID 12712019

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-aminopropan-2-yl)-2,6-dimethylphenol (CID 23620728) is 4-(2-aminopropan-2-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2,6-dimethylphenol is Cc1cc(C(C)(C)N)cc(C)c1O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2,6-dimethylphenol?
The InChIKey is SKQAYVLJACJCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-5-9(11(3,4)12)6-8(2)10(7)13/h5-6,13H,12H2,1-4H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2,6-dimethylphenol?
4-(2-aminopropan-2-yl)-2,6-dimethylphenol has a molecular weight of 179.26 g/mol, XLogP of 2.20, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2,6-dimethylphenol is sourced from PubChem (CID 23620728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).