ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate

C20H24FNO3 — CID 58149135

IUPACethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
SMILESCCNCc1cc(F)ccc1-c1cc(CC(=O)OCC)ccc1OC
InChIInChI=1S/C20H24FNO3/c1-4-22-13-15-12-16(21)7-8-17(15)18-10-14(6-9-19(18)24-3)11-20(23)25-5-2/h6-10,12,22H,4-5,11,13H2,1-3H3
InChIKeySWDRECRPERZFLH-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.72
Rot. Bonds8

About ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate

ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate (PubChem CID 58149135) has the molecular formula C20H24FNO3 and a molecular weight of 345.41 g/mol. Its IUPAC name is ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
PubChem CID58149135
Molecular FormulaC20H24FNO3
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC Nameethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate
SMILESCCNCc1cc(F)ccc1-c1cc(CC(=O)OCC)ccc1OC
InChIInChI=1S/C20H24FNO3/c1-4-22-13-15-12-16(21)7-8-17(15)18-10-14(6-9-19(18)24-3)11-20(23)25-5-2/h6-10,12,22H,4-5,11,13H2,1-3H3
InChIKeySWDRECRPERZFLH-UHFFFAOYSA-N
XLogP3.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-chloro-5-[2-(ethylaminomethyl)-4-fluorophenyl]phenyl]acetate
CID 58148881
ethyl 2-[(5-fluoro-2-methoxyphenyl)methylamino]acetate
CID 115257355
ethyl 2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-(5-fluoro-2-pyridinyl)phenyl]-4-methoxyphenyl]acetate
CID 66607227
ethyl 2-[3-[2-[(benzylcarbamoylamino)methyl]-4-(trifluoromethyl)phenyl]-4-methoxyphenyl]acetate
CID 66606742
benzyl 3-[[5-carboxyoxy-2-[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]phenyl]methylamino]propanoate
CID 118619870
2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-fluorophenyl]-4-methoxyphenyl]acetic acid
CID 66604258
ethyl 2-[3-[2-[[(3-cyclopropyl-3-oxopropyl)amino]methyl]-4-(6-ethoxy-3-pyridinyl)phenyl]-4-methoxyphenyl]acetate
CID 66607840
ethyl 2-[5-[2-(ethylaminomethyl)-4-methylphenyl]-6-methoxy-3-pyridinyl]acetate
CID 58565023
methyl 2-[3-[2-[[(2-amino-2-oxoethyl)amino]methyl]-4-methylphenyl]-4-methoxyphenyl]acetate;methyl 2-[3-[2-(hydroxymethyl)-4-methylphenyl]-4-methoxyphenyl]acetate
CID 159258346
ethyl 2-[4-methoxy-3-[4-methyl-2-(phenoxymethyl)phenyl]phenyl]acetate
CID 58460068
ethyl 2-[3-(5,6-difluoroisoquinolin-8-yl)-4-methoxyphenyl]acetate
CID 126597203
[5-(2-ethoxy-2-oxoethyl)-2-methoxyphenyl]boronic acid
CID 90360455

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate?
The IUPAC name of ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate (CID 58149135) is ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate.
What is the SMILES notation for ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate?
The canonical SMILES for ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate is CCNCc1cc(F)ccc1-c1cc(CC(=O)OCC)ccc1OC.
What is the InChIKey of ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate?
The InChIKey is SWDRECRPERZFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3/c1-4-22-13-15-12-16(21)7-8-17(15)18-10-14(6-9-19(18)24-3)11-20(23)25-5-2/h6-10,12,22H,4-5,11,13H2,1-3H3.
What are the key properties of ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate?
ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate has a molecular weight of 345.41 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[2-(ethylaminomethyl)-4-fluorophenyl]-4-methoxyphenyl]acetate is sourced from PubChem (CID 58149135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).