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

C14H21NO3 — CID 21110

IUPACmethyl 2-[2-(diethylamino)ethoxy]benzoate
SMILESCCN(CC)CCOc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)10-11-18-13-9-7-6-8-12(13)14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMDJGIUGPZDSKSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds7

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

methyl 2-[2-(diethylamino)ethoxy]benzoate (PubChem CID 21110) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 2-[2-(diethylamino)ethoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[2-(diethylamino)ethoxy]benzoate
PubChem CID21110
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 2-[2-(diethylamino)ethoxy]benzoate
SMILESCCN(CC)CCOc1ccccc1C(=O)OC
InChIInChI=1S/C14H21NO3/c1-4-15(5-2)10-11-18-13-9-7-6-8-12(13)14(16)17-3/h6-9H,4-5,10-11H2,1-3H3
InChIKeyMDJGIUGPZDSKSV-UHFFFAOYSA-N
XLogP2.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-Methoxybenzoate
CID 61151
Ethyl 2-Methoxybenzoate
CID 81784
Choline Salicylate
CID 54686350
Methyl acetylsalicylic acid
CID 68484
Etafenone
CID 3275
Parethoxycaine
CID 7183
Acetylsalicylate
CID 3434975
Benzoic acid, 4-ethoxy-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
CID 8694
2-Ethoxybenzoic acid
CID 67252
Methyl benzoylsalicylate
CID 285225
1-Propanone, 1-(2-(2-(diethylamino)ethoxy)phenyl)-3-phenyl-, hydrochloride (1:1)
CID 102220
Benzoic acid, 2-ethoxy-, ethyl ester
CID 221644

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(diethylamino)ethoxy]benzoate?
The IUPAC name of methyl 2-[2-(diethylamino)ethoxy]benzoate (CID 21110) is methyl 2-[2-(diethylamino)ethoxy]benzoate.
What is the SMILES notation for methyl 2-[2-(diethylamino)ethoxy]benzoate?
The canonical SMILES for methyl 2-[2-(diethylamino)ethoxy]benzoate is CCN(CC)CCOc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[2-(diethylamino)ethoxy]benzoate?
The InChIKey is MDJGIUGPZDSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-15(5-2)10-11-18-13-9-7-6-8-12(13)14(16)17-3/h6-9H,4-5,10-11H2,1-3H3.
What are the key properties of methyl 2-[2-(diethylamino)ethoxy]benzoate?
methyl 2-[2-(diethylamino)ethoxy]benzoate has a molecular weight of 251.33 g/mol, XLogP of 2.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(diethylamino)ethoxy]benzoate is sourced from PubChem (CID 21110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).