2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

C25H32FN3O3 — CID 47008163

IUPAC2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1CNCC(c1ccc(F)cc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C25H32FN3O3/c26-22-9-7-20(8-10-22)23(28-13-15-31-16-14-28)18-27-17-21-5-1-2-6-24(21)32-19-25(30)29-11-3-4-12-29/h1-2,5-10,23,27H,3-4,11-19H2
InChIKeyQNVFYIIRTVSKAC-UHFFFAOYSA-N
MW441.55 g/mol
LogP2.99
Rot. Bonds9

About 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone

2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (PubChem CID 47008163) has the molecular formula C25H32FN3O3 and a molecular weight of 441.55 g/mol. Its IUPAC name is 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
PubChem CID47008163
Molecular FormulaC25H32FN3O3
Molecular Weight441.55 g/mol
Exact Mass441.24
IUPAC Name2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccccc1CNCC(c1ccc(F)cc1)N1CCOCC1)N1CCCC1
InChIInChI=1S/C25H32FN3O3/c26-22-9-7-20(8-10-22)23(28-13-15-31-16-14-28)18-27-17-21-5-1-2-6-24(21)32-19-25(30)29-11-3-4-12-29/h1-2,5-10,23,27H,3-4,11-19H2
InChIKeyQNVFYIIRTVSKAC-UHFFFAOYSA-N
XLogP2.99
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

2-[2-[[[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 32663181
2-[2-[(2-ethylbutylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119124991
2-(2-fluorophenoxy)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]acetamide
CID 7833134
1-morpholin-4-yl-2-[2-(propylaminomethyl)phenoxy]ethanone
CID 43277297
2-[2-[[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 119128849
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(2-methylphenyl)acetamide
CID 51175139
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N-methyl-2-[2-[[[2-(5-methylthiophen-2-yl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]acetamide
CID 86903292
2-[2-[[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylamino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 38068271
2-[2-(aminomethyl)phenoxy]-1-(1,4-oxazepan-4-yl)ethanone
CID 55154462
2-[2-[(1-hydroxypropan-2-ylamino)methyl]phenoxy]-1-pyrrolidin-1-ylethanone
CID 111469398
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(phenoxymethyl)benzamide
CID 55331648

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone (CID 47008163) is 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is O=C(COc1ccccc1CNCC(c1ccc(F)cc1)N1CCOCC1)N1CCCC1.
What is the InChIKey of 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
The InChIKey is QNVFYIIRTVSKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O3/c26-22-9-7-20(8-10-22)23(28-13-15-31-16-14-28)18-27-17-21-5-1-2-6-24(21)32-19-25(30)29-11-3-4-12-29/h1-2,5-10,23,27H,3-4,11-19H2.
What are the key properties of 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone?
2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone has a molecular weight of 441.55 g/mol, XLogP of 2.99, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]amino]methyl]phenoxy]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 47008163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).