2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride

C14H22Cl2N2O2 — CID 30007

IUPAC2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1cccc(Cl)c1C.[Cl-]
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)9-10-19-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyOCQOORUHFZXKCQ-UHFFFAOYSA-N
MW321.25 g/mol
LogP-0.87
Rot. Bonds6

About 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride

2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride (PubChem CID 30007) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
PubChem CID30007
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1cccc(Cl)c1C.[Cl-]
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)9-10-19-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H
InChIKeyOCQOORUHFZXKCQ-UHFFFAOYSA-N
XLogP-0.87
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-((((3-Chlorophenyl)amino)carbonyl)oxy)-N,N,N-trimethyl-2-butyn-1-aminium chloride (1:1)
CID 5926
N-(3-chloro-2-methylphenyl)-3-morpholin-4-ylpropanamide
CID 882910
N-(3-chloro-4-methylphenyl)-2-morpholinoacetamide
CID 412741
ethyl N-(5-chloro-2-methylphenyl)carbamate
CID 310207
3'-Chloro-o-formotoluidide
CID 258763
Ethyl 3-chloro-4-methylcarbanilate
CID 145072
Isopropyl N-(5-chloro-2-methylphenyl)carbamate
CID 221805
(3-Chloro-phenyl)-carbamic acid 2-piperidin-1-yl-ethyl ester
CID 209710
(3-Chloro-phenyl)-carbamic acid 2-methoxycarbonylamino-1-methyl-ethyl ester
CID 647215
2-(2-methylpropoxycarbonylamino)ethyl N-(3-chlorophenyl)carbamate
CID 658386
Butyl (3-chloro-4-methylphenyl)carbamate
CID 1562726
4-[2-(3-Chloro-2-methyl-phenylcarbamoyl)-ethyl]-piperazine-1-carboxylic acid ethyl ester
CID 23724391

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The IUPAC name of 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride (CID 30007) is 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride.
What is the SMILES notation for 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The canonical SMILES for 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride is CC[NH+](CC)CCOC(=O)Nc1cccc(Cl)c1C.[Cl-].
What is the InChIKey of 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The InChIKey is OCQOORUHFZXKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)9-10-19-14(18)16-13-8-6-7-12(15)11(13)3;/h6-8H,4-5,9-10H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride has a molecular weight of 321.25 g/mol, XLogP of -0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride is sourced from PubChem (CID 30007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).