2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride

C12H18Cl2N2O2 — CID 30036

IUPAC2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
SMILESCc1cccc(Cl)c1NC(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9-5-4-6-10(13)11(9)14-12(16)17-8-7-15(2)3;/h4-6H,7-8H2,1-3H3,(H,14,16);1H
InChIKeyHZKKWJABACSFEU-UHFFFAOYSA-N
MW293.19 g/mol
LogP-1.65
Rot. Bonds4

About 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride

2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride (PubChem CID 30036) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
PubChem CID30036
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
SMILESCc1cccc(Cl)c1NC(=O)OCC[NH+](C)C.[Cl-]
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9-5-4-6-10(13)11(9)14-12(16)17-8-7-15(2)3;/h4-6H,7-8H2,1-3H3,(H,14,16);1H
InChIKeyHZKKWJABACSFEU-UHFFFAOYSA-N
XLogP-1.65
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 5-1.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
CID 138398477
2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
CID 5095007
[2-(2,6-dichloroanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 2699964
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
2-(4-aminophenyl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66253342
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
ethyl 2-[(2-chloro-6-methylphenyl)carbamoyloxy]-3-pyrazol-1-ylpropanoate
CID 150038070
(2S)-2-amino-N-(2-chloro-6-methylphenyl)-3-methylbutanamide
CID 66254944
[2-(2-chloro-6-methylanilino)-2-oxoethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-dimethylazanium
CID 20801
ethyl 2-(2-chloro-6-methylanilino)acetate
CID 66252153

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride?
The IUPAC name of 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride (CID 30036) is 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride?
The canonical SMILES for 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride is Cc1cccc(Cl)c1NC(=O)OCC[NH+](C)C.[Cl-].
What is the InChIKey of 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride?
The InChIKey is HZKKWJABACSFEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-9-5-4-6-10(13)11(9)14-12(16)17-8-7-15(2)3;/h4-6H,7-8H2,1-3H3,(H,14,16);1H.
What are the key properties of 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride?
2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride has a molecular weight of 293.19 g/mol, XLogP of -1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride is sourced from PubChem (CID 30036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).