2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone

C24H21F2NO4 — CID 134127172

IUPAC2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone
SMILESNCCc1ccc(OCC(=O)c2ccc(F)cc2)c(OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H21F2NO4/c25-19-6-2-17(3-7-19)21(28)14-30-23-10-1-16(11-12-27)13-24(23)31-15-22(29)18-4-8-20(26)9-5-18/h1-10,13H,11-12,14-15,27H2
InChIKeyORVKPCMMGLGCQR-UHFFFAOYSA-N
MW425.43 g/mol
LogP3.99
Rot. Bonds10

About 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone

2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone (PubChem CID 134127172) has the molecular formula C24H21F2NO4 and a molecular weight of 425.43 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone
PubChem CID134127172
Molecular FormulaC24H21F2NO4
Molecular Weight425.43 g/mol
Exact Mass425.14
IUPAC Name2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone
SMILESNCCc1ccc(OCC(=O)c2ccc(F)cc2)c(OCC(=O)c2ccc(F)cc2)c1
InChIInChI=1S/C24H21F2NO4/c25-19-6-2-17(3-7-19)21(28)14-30-23-10-1-16(11-12-27)13-24(23)31-15-22(29)18-4-8-20(26)9-5-18/h1-10,13H,11-12,14-15,27H2
InChIKeyORVKPCMMGLGCQR-UHFFFAOYSA-N
XLogP3.99
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.43
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 134127167
benzyl 2-[4-(2-aminoethyl)-2-(2-oxo-2-phenylmethoxyethoxy)phenoxy]acetate
CID 134127156
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
2-(2-chloro-4-methylphenoxy)-1-(4-fluorophenyl)ethanone
CID 62671843
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
2-(2-bromophenoxy)-1-(4-fluorophenyl)ethanone
CID 10638587
1-(4-fluorophenyl)-2-[4-(hydroxymethyl)phenoxy]ethanone
CID 60623791
1-(4-fluorophenyl)-2-[2-(2-hydroxyethyl)phenoxy]ethanone
CID 107712874
1-(4-fluorophenyl)-2-(2,4,6-tribromophenoxy)ethanone
CID 60665300
2-(2-ethylphenoxy)-1-(4-fluorophenyl)ethanone
CID 43412427
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
CID 61485578

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone?
The IUPAC name of 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone (CID 134127172) is 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone is NCCc1ccc(OCC(=O)c2ccc(F)cc2)c(OCC(=O)c2ccc(F)cc2)c1.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone?
The InChIKey is ORVKPCMMGLGCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO4/c25-19-6-2-17(3-7-19)21(28)14-30-23-10-1-16(11-12-27)13-24(23)31-15-22(29)18-4-8-20(26)9-5-18/h1-10,13H,11-12,14-15,27H2.
What are the key properties of 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone?
2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone has a molecular weight of 425.43 g/mol, XLogP of 3.99, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone is sourced from PubChem (CID 134127172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).