2-(2-methylphenyl)ethylazanium chloride

C9H14ClN — CID 21115517

IUPAC2-(2-methylphenyl)ethylazanium chloride
SMILESCc1ccccc1CC[NH3+].[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyDQLZLKLLQGKKFR-UHFFFAOYSA-N
MW171.67 g/mol
LogP-2.22
Rot. Bonds2

About 2-(2-methylphenyl)ethylazanium chloride

2-(2-methylphenyl)ethylazanium chloride (PubChem CID 21115517) has the molecular formula C9H14ClN and a molecular weight of 171.67 g/mol. Its IUPAC name is 2-(2-methylphenyl)ethylazanium chloride.

Molecular Properties

Compound Name2-(2-methylphenyl)ethylazanium chloride
PubChem CID21115517
Molecular FormulaC9H14ClN
Molecular Weight171.67 g/mol
Exact Mass171.08
IUPAC Name2-(2-methylphenyl)ethylazanium chloride
SMILESCc1ccccc1CC[NH3+].[Cl-]
InChIInChI=1S/C9H13N.ClH/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7,10H2,1H3;1H
InChIKeyDQLZLKLLQGKKFR-UHFFFAOYSA-N
XLogP-2.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.67
LogP ≤ 5-2.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

(2-methylphenyl)methylazanium chloride
CID 26942
1-methyl-2-[18-(2-methylphenyl)octadecyl]benzene
CID 22919877
CID 57429570
CID 57429570
CID 140700178
CID 140700178
zinc 1-(2-iodoethyl)-2-methylbenzene
CID 18402556
ethane;2-(2-methylphenyl)ethanamine
CID 91237349
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
3-(2-methylphenyl)propanal
CID 15191870
ethanol;2-(2-methylphenyl)ethanol
CID 69408748
1-methyl-2-pentylbenzene
CID 524553
2-[2-[2-(2-methylphenyl)ethyl]phenyl]ethanol
CID 44723654
1-butyl-2-methylbenzene;ethane;propane
CID 142102479

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)ethylazanium chloride?
The IUPAC name of 2-(2-methylphenyl)ethylazanium chloride (CID 21115517) is 2-(2-methylphenyl)ethylazanium chloride.
What is the SMILES notation for 2-(2-methylphenyl)ethylazanium chloride?
The canonical SMILES for 2-(2-methylphenyl)ethylazanium chloride is Cc1ccccc1CC[NH3+].[Cl-].
What is the InChIKey of 2-(2-methylphenyl)ethylazanium chloride?
The InChIKey is DQLZLKLLQGKKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.ClH/c1-8-4-2-3-5-9(8)6-7-10;/h2-5H,6-7,10H2,1H3;1H.
What are the key properties of 2-(2-methylphenyl)ethylazanium chloride?
2-(2-methylphenyl)ethylazanium chloride has a molecular weight of 171.67 g/mol, XLogP of -2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)ethylazanium chloride is sourced from PubChem (CID 21115517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).