2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate

C16H24FNO3 — CID 59382521

IUPAC2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate
SMILESCCc1c(F)cc(C(=O)OCCN(C)C)cc1CCOC
InChIInChI=1S/C16H24FNO3/c1-5-14-12(6-8-20-4)10-13(11-15(14)17)16(19)21-9-7-18(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLWNJJMDEBYVBMJ-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.30
Rot. Bonds8

About 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate

2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate (PubChem CID 59382521) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate
PubChem CID59382521
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate
SMILESCCc1c(F)cc(C(=O)OCCN(C)C)cc1CCOC
InChIInChI=1S/C16H24FNO3/c1-5-14-12(6-8-20-4)10-13(11-15(14)17)16(19)21-9-7-18(2)3/h10-11H,5-9H2,1-4H3
InChIKeyLWNJJMDEBYVBMJ-UHFFFAOYSA-N
XLogP2.30
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate?
The IUPAC name of 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate (CID 59382521) is 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate?
The canonical SMILES for 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate is CCc1c(F)cc(C(=O)OCCN(C)C)cc1CCOC.
What is the InChIKey of 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate?
The InChIKey is LWNJJMDEBYVBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-5-14-12(6-8-20-4)10-13(11-15(14)17)16(19)21-9-7-18(2)3/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate?
2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate has a molecular weight of 297.37 g/mol, XLogP of 2.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 4-ethyl-3-fluoro-5-(2-methoxyethyl)benzoate is sourced from PubChem (CID 59382521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).