chloromethyl 2-(diethylamino)ethyl carbonate

C8H16ClNO3 — CID 54133141

IUPACchloromethyl 2-(diethylamino)ethyl carbonate
SMILESCCN(CC)CCOC(=O)OCCl
InChIInChI=1S/C8H16ClNO3/c1-3-10(4-2)5-6-12-8(11)13-7-9/h3-7H2,1-2H3
InChIKeyNVTONDIAKHAZBF-UHFFFAOYSA-N
MW209.67 g/mol
LogP1.68
Rot. Bonds6

About chloromethyl 2-(diethylamino)ethyl carbonate

chloromethyl 2-(diethylamino)ethyl carbonate (PubChem CID 54133141) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is chloromethyl 2-(diethylamino)ethyl carbonate.

Molecular Properties

Compound Namechloromethyl 2-(diethylamino)ethyl carbonate
PubChem CID54133141
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namechloromethyl 2-(diethylamino)ethyl carbonate
SMILESCCN(CC)CCOC(=O)OCCl
InChIInChI=1S/C8H16ClNO3/c1-3-10(4-2)5-6-12-8(11)13-7-9/h3-7H2,1-2H3
InChIKeyNVTONDIAKHAZBF-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

bis[3-(diethylamino)propyl] carbonate
CID 18944359
chloromethyl propyl carbonate
CID 22595330
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
2-(diethylamino)ethyl propanoate;hydrochloride
CID 141390423
bis[6-(diethylamino)hexyl] carbonate;hydrate;dihydrochloride
CID 173301568
2-[2-chloroethyl(ethyl)amino]ethyl acetate;iodomethane
CID 159717423
bis[2-(dihexylamino)ethyl] carbonate
CID 18944360
2-(diethylamino)ethyl 2-iodo-2-methylpropanoate
CID 162508851
2-(diethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161237625
2-(diethylamino)ethyl pentanoate
CID 14795466
chloromethoxycarbonyloxymethyl acetate
CID 54336470
N,N-diethyl-2-prop-1-en-2-yloxyethanamine
CID 57188475

Frequently Asked Questions

What is the IUPAC name of chloromethyl 2-(diethylamino)ethyl carbonate?
The IUPAC name of chloromethyl 2-(diethylamino)ethyl carbonate (CID 54133141) is chloromethyl 2-(diethylamino)ethyl carbonate.
What is the SMILES notation for chloromethyl 2-(diethylamino)ethyl carbonate?
The canonical SMILES for chloromethyl 2-(diethylamino)ethyl carbonate is CCN(CC)CCOC(=O)OCCl.
What is the InChIKey of chloromethyl 2-(diethylamino)ethyl carbonate?
The InChIKey is NVTONDIAKHAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16ClNO3/c1-3-10(4-2)5-6-12-8(11)13-7-9/h3-7H2,1-2H3.
What are the key properties of chloromethyl 2-(diethylamino)ethyl carbonate?
chloromethyl 2-(diethylamino)ethyl carbonate has a molecular weight of 209.67 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethyl 2-(diethylamino)ethyl carbonate is sourced from PubChem (CID 54133141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).