2-(dimethylamino)ethyl 3-ethylbenzoate

C13H19NO2 — CID 70999207

IUPAC2-(dimethylamino)ethyl 3-ethylbenzoate
SMILESCCc1cccc(C(=O)OCCN(C)C)c1
InChIInChI=1S/C13H19NO2/c1-4-11-6-5-7-12(10-11)13(15)16-9-8-14(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyZORHFCHRNFEBLS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

About 2-(dimethylamino)ethyl 3-ethylbenzoate

2-(dimethylamino)ethyl 3-ethylbenzoate (PubChem CID 70999207) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-ethylbenzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-ethylbenzoate
PubChem CID70999207
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-(dimethylamino)ethyl 3-ethylbenzoate
SMILESCCc1cccc(C(=O)OCCN(C)C)c1
InChIInChI=1S/C13H19NO2/c1-4-11-6-5-7-12(10-11)13(15)16-9-8-14(2)3/h5-7,10H,4,8-9H2,1-3H3
InChIKeyZORHFCHRNFEBLS-UHFFFAOYSA-N
XLogP1.97
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)ethyl 3-bromobenzoate;hydrochloride
CID 2912299
bis[3-(dimethylamino)propyl] benzene-1,3-dicarboxylate
CID 139953071
2-(dimethylamino)ethyl benzoate;hydroiodide
CID 2752377
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
3-(dimethylamino)propyl 3-aminobenzoate
CID 114526412
chloro 3-ethylbenzoate
CID 142246460
sulfanyl 3-ethylbenzoate
CID 89208053
2-(dimethylamino)ethyl 3,4-dimethoxybenzoate
CID 936334
propyl 3-(methoxymethyl)benzoate
CID 78846700
2-[tert-butyl(methyl)amino]ethyl 3-bromobenzoate
CID 659599
bis[2-[decyl(methyl)amino]ethyl] benzene-1,3-dicarboxylate
CID 139953722
propyl 3-[2-(dimethylamino)ethylamino]benzoate
CID 82096552

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-ethylbenzoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-ethylbenzoate (CID 70999207) is 2-(dimethylamino)ethyl 3-ethylbenzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-ethylbenzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-ethylbenzoate is CCc1cccc(C(=O)OCCN(C)C)c1.
What is the InChIKey of 2-(dimethylamino)ethyl 3-ethylbenzoate?
The InChIKey is ZORHFCHRNFEBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-11-6-5-7-12(10-11)13(15)16-9-8-14(2)3/h5-7,10H,4,8-9H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 3-ethylbenzoate?
2-(dimethylamino)ethyl 3-ethylbenzoate has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-ethylbenzoate is sourced from PubChem (CID 70999207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).