1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride

C11H18ClNO — CID 44724350

IUPAC1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride
SMILESCc1cccc(C)c1OCC(C)[NH3+].[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
InChIKeyNFEIBWMZVIVJLQ-UHFFFAOYSA-N
MW215.72 g/mol
LogP-1.68
Rot. Bonds3

About 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride

1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride (PubChem CID 44724350) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride
PubChem CID44724350
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride
SMILESCc1cccc(C)c1OCC(C)[NH3+].[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H
InChIKeyNFEIBWMZVIVJLQ-UHFFFAOYSA-N
XLogP-1.68
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 5-1.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride?
The IUPAC name of 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride (CID 44724350) is 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride?
The canonical SMILES for 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride is Cc1cccc(C)c1OCC(C)[NH3+].[Cl-].
What is the InChIKey of 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride?
The InChIKey is NFEIBWMZVIVJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-8-5-4-6-9(2)11(8)13-7-10(3)12;/h4-6,10H,7,12H2,1-3H3;1H.
What are the key properties of 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride?
1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride has a molecular weight of 215.72 g/mol, XLogP of -1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)propan-2-ylazanium chloride is sourced from PubChem (CID 44724350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).