ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate

C15H21Cl2NO2 — CID 64542042

IUPACethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
SMILESCCOC(=O)CC(c1cccc(Cl)c1Cl)N(CC)CC
InChIInChI=1S/C15H21Cl2NO2/c1-4-18(5-2)13(10-14(19)20-6-3)11-8-7-9-12(16)15(11)17/h7-9,13H,4-6,10H2,1-3H3
InChIKeyOVMZTLNLGXLFSP-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.33
Rot. Bonds7

About ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate

ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate (PubChem CID 64542042) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
PubChem CID64542042
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Nameethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
SMILESCCOC(=O)CC(c1cccc(Cl)c1Cl)N(CC)CC
InChIInChI=1S/C15H21Cl2NO2/c1-4-18(5-2)13(10-14(19)20-6-3)11-8-7-9-12(16)15(11)17/h7-9,13H,4-6,10H2,1-3H3
InChIKeyOVMZTLNLGXLFSP-UHFFFAOYSA-N
XLogP4.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[1-(2,3-dichlorophenyl)ethylamino]propanoate
CID 103914729
ethyl 3-(3-bromophenyl)-3-(diethylamino)propanoate
CID 64542038
(3S)-3-amino-3-(2,3-dichlorophenyl)propanamide
CID 29060246
ethyl 2-cyano-2-(2,3-dichlorophenyl)acetate
CID 19705040
ethyl 2-[(2,3-dichlorobenzoyl)-propan-2-ylamino]acetate
CID 61022668
ethyl 3-(2,6-dichlorophenyl)butanoate
CID 145081083
methyl 3-(2,3-dichlorophenyl)-3-hydroxypropanoate
CID 19770432
ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
ethyl 2-(2,6-dichloro-N-(2-ethoxy-2-oxoethyl)anilino)acetate
CID 171623851
ethyl 2-[[(E)-3-(2,3-dichlorophenyl)prop-2-enoyl]-ethylamino]acetate
CID 61013050
ethyl 4-[1-(2-chlorophenyl)ethyl-methylamino]-3-hydroxybutanoate
CID 82770188

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate?
The IUPAC name of ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate (CID 64542042) is ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate?
The canonical SMILES for ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate is CCOC(=O)CC(c1cccc(Cl)c1Cl)N(CC)CC.
What is the InChIKey of ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate?
The InChIKey is OVMZTLNLGXLFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-4-18(5-2)13(10-14(19)20-6-3)11-8-7-9-12(16)15(11)17/h7-9,13H,4-6,10H2,1-3H3.
What are the key properties of ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate?
ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate has a molecular weight of 318.24 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate is sourced from PubChem (CID 64542042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).