2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride

C14H24ClNO2 — CID 28092

IUPAC2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
SMILESCc1cc(OCC[NH+](C)C)c(C(C)C)cc1O.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5;/h8-10,16H,6-7H2,1-5H3;1H
InChIKeyAIDBABSBOSQTRQ-UHFFFAOYSA-N
MW273.80 g/mol
LogP-1.65
Rot. Bonds5

About 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride

2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride (PubChem CID 28092) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
PubChem CID28092
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
SMILESCc1cc(OCC[NH+](C)C)c(C(C)C)cc1O.[Cl-]
InChIInChI=1S/C14H23NO2.ClH/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5;/h8-10,16H,6-7H2,1-5H3;1H
InChIKeyAIDBABSBOSQTRQ-UHFFFAOYSA-N
XLogP-1.65
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(2-methoxyethylamino)ethoxy]-2-methyl-5-propan-2-ylphenol
CID 142636108
4-[2-[bis(prop-2-enyl)amino]ethoxy]-2-methyl-5-propan-2-ylphenol
CID 70522413
2-methyl-5-[2-(methylamino)ethoxy]-4-propan-2-ylphenol
CID 70482477
4-(1-bromoethoxy)-2-methyl-5-propan-2-ylphenol
CID 70417038
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2-methyl-5-propan-2-ylphenol;hydrochloride
CID 20846521
2-[2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)ethyl]guanidine
CID 158736954
3-[[2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-methoxyethyl)amino]methyl]-4-methoxy-2,5,6-trimethylphenol;hydrochloride
CID 22365014
2-(hydroxymethyl)-6-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)oxane-3,4,5-triol
CID 162907437
5-(4-amino-5-methyl-2-propan-2-ylphenoxy)pentan-1-ol
CID 65216687
1-(3-bromopropoxy)-4-chloro-5-methyl-2-propan-2-ylbenzene
CID 154267384
4-(2,4-diaminopyrimidin-5-yl)oxy-2-methyl-5-propan-2-ylphenol
CID 71206317
N-[(2-methyl-5-propan-2-yl-4-propoxyphenyl)methyl]ethanamine
CID 82552720

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride?
The IUPAC name of 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride (CID 28092) is 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride is Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1O.[Cl-].
What is the InChIKey of 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride?
The InChIKey is AIDBABSBOSQTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-10(2)12-9-13(16)11(3)8-14(12)17-7-6-15(4)5;/h8-10,16H,6-7H2,1-5H3;1H.
What are the key properties of 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride?
2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride has a molecular weight of 273.80 g/mol, XLogP of -1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride is sourced from PubChem (CID 28092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).