2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate

C14H19Cl2NO4 — CID 166995748

IUPAC2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN(C)C
InChIInChI=1S/C14H19Cl2NO4/c1-17(2)6-7-20-8-9-21-14(18)12-10(15)4-5-11(16)13(12)19-3/h4-5H,6-9H2,1-3H3
InChIKeyZSZBZZUXFWTKSU-UHFFFAOYSA-N
MW336.22 g/mol
LogP2.74
Rot. Bonds8

About 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate

2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate (PubChem CID 166995748) has the molecular formula C14H19Cl2NO4 and a molecular weight of 336.22 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate
PubChem CID166995748
Molecular FormulaC14H19Cl2NO4
Molecular Weight336.22 g/mol
Exact Mass335.07
IUPAC Name2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN(C)C
InChIInChI=1S/C14H19Cl2NO4/c1-17(2)6-7-20-8-9-21-14(18)12-10(15)4-5-11(16)13(12)19-3/h4-5H,6-9H2,1-3H3
InChIKeyZSZBZZUXFWTKSU-UHFFFAOYSA-N
XLogP2.74
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethoxy)ethyl 3,6-dichloro-2-methoxybenzoate
CID 68783214
2-aminoethyl 3,6-dichloro-2-methoxybenzoate;hydrochloride
CID 169177858
2-[2-[2-(2,4-dichlorophenoxy)acetyl]oxyethyl-methylamino]ethyl 3,6-dichloro-2-methoxybenzoate
CID 169177801
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
1-(3,6-dichloro-2-methoxyphenyl)propan-1-one
CID 123946716
[2-[N-[1,2-bis[(3,6-dichloro-2-methoxybenzoyl)oxy]ethyl]anilino]-2-(3,6-dichloro-2-methoxybenzoyl)oxyethyl] 3,6-dichloro-2-methoxybenzoate
CID 23621110
3,6-dichloro-2-methoxy-N-methyl-N-phenylbenzamide
CID 86210175
2-ethoxyethyl 3-[(3,6-dichloro-2-methoxybenzoyl)amino]benzoate
CID 19171904
carbonic acid;3,6-dichloro-2-methoxybenzoic acid
CID 175112629
[(Z)-(1-amino-2-phenylethylidene)amino] 3,6-dichloro-2-methoxybenzoate
CID 164870384
azanium 3,6-dichloro-2-methoxybenzoate
CID 67127214
(3,6-dichloro-2-methoxyphenyl)-[4-[2-(dimethylamino)ethyl]-3,5-dimethylpiperazin-1-yl]methanone
CID 110290386

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate (CID 166995748) is 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate is COc1c(Cl)ccc(Cl)c1C(=O)OCCOCCN(C)C.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate?
The InChIKey is ZSZBZZUXFWTKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO4/c1-17(2)6-7-20-8-9-21-14(18)12-10(15)4-5-11(16)13(12)19-3/h4-5H,6-9H2,1-3H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate?
2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate has a molecular weight of 336.22 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]ethyl 3,6-dichloro-2-methoxybenzoate is sourced from PubChem (CID 166995748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).