1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium

C11H18NO+ — CID 59124055

IUPAC1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium
SMILESCc1cc(O)cc(C)c1CC(C)[NH3+]
InChIInChI=1S/C11H17NO/c1-7-4-10(13)5-8(2)11(7)6-9(3)12/h4-5,9,13H,6,12H2,1-3H3/p+1
InChIKeySIFIWPHFRPZSNY-UHFFFAOYSA-O
MW180.27 g/mol
LogP1.18
Rot. Bonds2

About 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium

1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium (PubChem CID 59124055) has the molecular formula C11H18NO+ and a molecular weight of 180.27 g/mol. Its IUPAC name is 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium.

Molecular Properties

Compound Name1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium
PubChem CID59124055
Molecular FormulaC11H18NO+
Molecular Weight180.27 g/mol
Exact Mass180.14
IUPAC Name1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium
SMILESCc1cc(O)cc(C)c1CC(C)[NH3+]
InChIInChI=1S/C11H17NO/c1-7-4-10(13)5-8(2)11(7)6-9(3)12/h4-5,9,13H,6,12H2,1-3H3/p+1
InChIKeySIFIWPHFRPZSNY-UHFFFAOYSA-O
XLogP1.18
TPSA47.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.27
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-azaniumyl-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 40580600
4-(4-amino-2-methylpentyl)-3,5-dimethylphenol
CID 83923476
[2-(dimethylamino)-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]azanium
CID 146952962
4-[(2S,3S)-3-hydroxy-4-(4-hydroxy-2,6-dimethylphenyl)butan-2-yl]benzene-1,2-diol
CID 70866624
4-(2,2-dimethylpropyl)-3,5-dimethylphenol
CID 134338479
tert-butyl (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 138718458
2-amino-N-ethyl-3-(4-hydroxy-2,6-dimethylphenyl)propanamide
CID 75009597
3-methyl-4-(2,4,6-trimethylphenyl)butan-2-ol
CID 11229524
4-[[3-[2-(4-fluorophenyl)-1-hydroxyethyl]-4-hydroxyphenyl]methyl]-3,5-dimethylphenol
CID 174553748
(2R)-2-[(4-hydroxy-2,6-dimethylphenyl)methyl]-4-oxo-4-phenylmethoxybutanoic acid
CID 157244660
(3,5-dimethylphenyl) 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate
CID 173042464
1-(4-hydroxy-2,6-dimethylphenyl)heptane-3,4-diol
CID 112717371

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium?
The IUPAC name of 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium (CID 59124055) is 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium.
What is the SMILES notation for 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium?
The canonical SMILES for 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium is Cc1cc(O)cc(C)c1CC(C)[NH3+].
What is the InChIKey of 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium?
The InChIKey is SIFIWPHFRPZSNY-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H17NO/c1-7-4-10(13)5-8(2)11(7)6-9(3)12/h4-5,9,13H,6,12H2,1-3H3/p+1.
What are the key properties of 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium?
1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium has a molecular weight of 180.27 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,6-dimethylphenyl)propan-2-ylazanium is sourced from PubChem (CID 59124055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).