2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride

C14H22Cl2N2O2 — CID 30011

IUPAC2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1cc(Cl)ccc1C.[Cl-]
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)8-9-19-14(18)16-13-10-12(15)7-6-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H
InChIKeyJFELONWYHXNVKQ-UHFFFAOYSA-N
MW321.25 g/mol
LogP-0.87
Rot. Bonds6

About 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride

2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride (PubChem CID 30011) has the molecular formula C14H22Cl2N2O2 and a molecular weight of 321.25 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
PubChem CID30011
Molecular FormulaC14H22Cl2N2O2
Molecular Weight321.25 g/mol
Exact Mass320.11
IUPAC Name2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride
SMILESCC[NH+](CC)CCOC(=O)Nc1cc(Cl)ccc1C.[Cl-]
InChIInChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)8-9-19-14(18)16-13-10-12(15)7-6-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H
InChIKeyJFELONWYHXNVKQ-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

2-piperidin-1-ylethyl N-(5-chloro-2-methylphenyl)carbamate
CID 30014
[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethylazanium
CID 8780418
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
ethyl N-(5-chloro-2-iodophenyl)carbamate
CID 22490681
N-(5-chloro-2-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 103606661
2-hydroxyethyl N-(5-bromo-2-methylphenyl)carbamate
CID 79348702
1-(5-chloro-2-methylphenyl)-3-(2-ethoxyethyl)urea
CID 3671934
2-hydroxyethyl N-(2,5-dichlorophenyl)carbamate
CID 79346256
2-aminoethyl N-[3-(2-aminoethoxycarbonylamino)-4-methylphenyl]carbamate;ethane;molecular hydrogen
CID 156808117
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-(3-methylbutylamino)-2-oxoethyl]azanium
CID 8791716
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl]azanium
CID 8791722

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride (CID 30011) is 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride is CC[NH+](CC)CCOC(=O)Nc1cc(Cl)ccc1C.[Cl-].
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
The InChIKey is JFELONWYHXNVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2.ClH/c1-4-17(5-2)8-9-19-14(18)16-13-10-12(15)7-6-11(13)3;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H.
What are the key properties of 2-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride?
2-[(5-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-[(5-chloro-2-methylphenyl)carbamoyloxy]ethyl-diethylazanium chloride is sourced from PubChem (CID 30011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).