methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate

C14H20ClNO3 — CID 21111

IUPACmethyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
SMILESCCN(CC)CCOc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H20ClNO3/c1-4-16(5-2)8-9-19-13-7-6-11(15)10-12(13)14(17)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNEJQTHUQLBEWPQ-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.85
Rot. Bonds7

About methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate

methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate (PubChem CID 21111) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
PubChem CID21111
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC Namemethyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate
SMILESCCN(CC)CCOc1ccc(Cl)cc1C(=O)OC
InChIInChI=1S/C14H20ClNO3/c1-4-16(5-2)8-9-19-13-7-6-11(15)10-12(13)14(17)18-3/h6-7,10H,4-5,8-9H2,1-3H3
InChIKeyNEJQTHUQLBEWPQ-UHFFFAOYSA-N
XLogP2.85
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-chloro-2-methoxybenzoate
CID 118574
Edan
CID 10245201
Benzamide, 5-chloro-2-(2-(diethylamino)ethoxy)-
CID 21166
2-Allyloxy-5-chloro-benzoic acid
CID 1843886
5-Chloro-2-propoxybenzoic acid
CID 4350239
(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 2433973
(2-Morpholin-4-yl-2-oxoethyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2434745
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 16309549
Acetophenone, 2'-(2-(diethylamino)ethoxy)-
CID 16583
Benzoic acid, 2-((aminocarbonyl)oxy)-5-chloro-, ethyl ester
CID 359387
Butyrophenone, 5'-chloro-2'-(2-(diisopropylamino)ethoxy)-
CID 30304
Benzoic acid, o-(2-(diethylamino)ethoxy)-, methyl ester
CID 21110

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate?
The IUPAC name of methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate (CID 21111) is methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate.
What is the SMILES notation for methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate?
The canonical SMILES for methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate is CCN(CC)CCOc1ccc(Cl)cc1C(=O)OC.
What is the InChIKey of methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate?
The InChIKey is NEJQTHUQLBEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-4-16(5-2)8-9-19-13-7-6-11(15)10-12(13)14(17)18-3/h6-7,10H,4-5,8-9H2,1-3H3.
What are the key properties of methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate?
methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate has a molecular weight of 285.77 g/mol, XLogP of 2.85, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-2-[2-(diethylamino)ethoxy]benzoate is sourced from PubChem (CID 21111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).