2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride

C12H18Cl2N2O2 — CID 138398477

IUPAC2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)OCCN(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
LogP3.18
Rot. Bonds4

About 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride

2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride (PubChem CID 138398477) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
PubChem CID138398477
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC Name2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride
SMILESCc1cccc(Cl)c1NC(=O)OCCN(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
XLogP3.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)ethyl N-(2-ethyl-6-methylphenyl)carbamate
CID 44722433
2-[(2-chloro-6-methylphenyl)carbamoyloxy]ethyl-dimethylazanium chloride
CID 30036
1-(2-chloro-6-methylphenyl)-3-[3-(dimethylamino)propyl]urea;hydrochloride
CID 3060919
2-(dimethylamino)ethyl N-(3-methylphenyl)carbamate
CID 44722441
2-(4-chloro-3-methylphenoxy)ethyl N-(2,6-dimethylphenyl)carbamate
CID 5095007
3-amino-N-(2-chloro-6-methylphenyl)butanamide;hydrochloride
CID 12546926
octadecyl N-(2,6-dimethylphenyl)carbamate
CID 10002058
N-(2-chloro-6-methylphenyl)-2-[di(propan-2-yl)amino]acetamide;hydrochloride
CID 138402190
3-(2-chloro-6-methylphenyl)-1-methyl-1-(2-phenylethyl)urea
CID 4986373
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334
(2R)-2-amino-N-(2-chloro-6-methylphenyl)butanamide
CID 66255891
N-(2-chloro-6-methylphenyl)-2-[2-(diethylamino)ethyl-propan-2-ylamino]acetamide;hydrochloride
CID 138396786

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride (CID 138398477) is 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride is Cc1cccc(Cl)c1NC(=O)OCCN(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride?
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-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride?
2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl N-(2-chloro-6-methylphenyl)carbamate;hydrochloride is sourced from PubChem (CID 138398477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).