(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

C18H26FN3O2 — CID 124612695

IUPAC(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCNC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-20-12-14-6-7-22(13-14)18(23)17(21-8-10-24-11-9-21)15-4-2-3-5-16(15)19/h2-5,14,17,20H,6-13H2,1H3/t14-,17+/m0/s1
InChIKeyJUXHCDFWFDFMND-WMLDXEAASA-N
MW335.42 g/mol
LogP1.27
Rot. Bonds5

About (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone

(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 124612695) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
PubChem CID124612695
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
SMILESCNC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1
InChIInChI=1S/C18H26FN3O2/c1-20-12-14-6-7-22(13-14)18(23)17(21-8-10-24-11-9-21)15-4-2-3-5-16(15)19/h2-5,14,17,20H,6-13H2,1H3/t14-,17+/m0/s1
InChIKeyJUXHCDFWFDFMND-WMLDXEAASA-N
XLogP1.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3R)-3-aminopiperidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 124593426
(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591150
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591149
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-fluorophenyl)-2-morpholin-4-ylethanone;dihydrochloride
CID 120813896
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-(2-fluorophenyl)-2-morpholin-4-ylethanone
CID 120746023
[1-(2-fluorophenyl)cyclopropyl]-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 125134753
2-fluoro-N-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide;hydrochloride
CID 119539702
2-(2-fluorophenyl)-2-morpholin-4-yl-N-(piperidin-3-ylmethyl)acetamide;dihydrochloride
CID 119460909
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-2-morpholin-4-ylacetamide
CID 120826501
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylbutan-1-one
CID 63264037
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
[2-(2,6-difluorophenyl)cyclopropyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119539938

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone (CID 124612695) is (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is CNC[C@@H]1CCN(C(=O)[C@@H](c2ccccc2F)N2CCOCC2)C1.
What is the InChIKey of (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is JUXHCDFWFDFMND-WMLDXEAASA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-20-12-14-6-7-22(13-14)18(23)17(21-8-10-24-11-9-21)15-4-2-3-5-16(15)19/h2-5,14,17,20H,6-13H2,1H3/t14-,17+/m0/s1.
What are the key properties of (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone?
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 335.42 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 124612695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).