(2,4,6-trimethylphenyl)azanium chloride

C9H14ClN — CID 22796

IUPAC(2,4,6-trimethylphenyl)azanium chloride
SMILESCc1cc(C)c([NH3+])c(C)c1.[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H
InChIKeyWUYJXWRFOUCHEB-UHFFFAOYSA-N
MW171.67 g/mol
LogP-1.51
Rot. Bonds

About (2,4,6-trimethylphenyl)azanium chloride

(2,4,6-trimethylphenyl)azanium chloride (PubChem CID 22796) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is (2,4,6-trimethylphenyl)azanium chloride.

Molecular Properties

Compound Name(2,4,6-trimethylphenyl)azanium chloride
PubChem CID22796
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name(2,4,6-trimethylphenyl)azanium chloride
SMILESCc1cc(C)c([NH3+])c(C)c1.[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H
InChIKeyWUYJXWRFOUCHEB-UHFFFAOYSA-N
XLogP-1.51
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 5-1.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2,4,6-trimethylphenyl)azanium chloride?
The IUPAC name of (2,4,6-trimethylphenyl)azanium chloride (CID 22796) is (2,4,6-trimethylphenyl)azanium chloride.
What is the SMILES notation for (2,4,6-trimethylphenyl)azanium chloride?
The canonical SMILES for (2,4,6-trimethylphenyl)azanium chloride is Cc1cc(C)c([NH3+])c(C)c1.[Cl-].
What is the InChIKey of (2,4,6-trimethylphenyl)azanium chloride?
The InChIKey is WUYJXWRFOUCHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-6-4-7(2)9(10)8(3)5-6;/h4-5H,10H2,1-3H3;1H.
What are the key properties of (2,4,6-trimethylphenyl)azanium chloride?
(2,4,6-trimethylphenyl)azanium chloride has a molecular weight of 171.67 g/mol, XLogP of -1.51, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,6-trimethylphenyl)azanium chloride is sourced from PubChem (CID 22796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).