3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one

C16H23FN2O — CID 115970369

IUPAC3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCCC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-2-15(13-7-3-4-8-14(13)17)18-10-9-16(20)19-11-5-6-12-19/h3-4,7-8,15,18H,2,5-6,9-12H2,1H3
InChIKeyNVLZBVXODPLPJR-UHFFFAOYSA-N
MW278.37 g/mol
LogP2.88
Rot. Bonds6

About 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one

3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 115970369) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID115970369
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCCC(NCCC(=O)N1CCCC1)c1ccccc1F
InChIInChI=1S/C16H23FN2O/c1-2-15(13-7-3-4-8-14(13)17)18-10-9-16(20)19-11-5-6-12-19/h3-4,7-8,15,18H,2,5-6,9-12H2,1H3
InChIKeyNVLZBVXODPLPJR-UHFFFAOYSA-N
XLogP2.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
3-[1-(2,3-difluorophenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 103915795
3-[1-(2-fluorophenyl)propylamino]-N-propylpropanamide
CID 112631456
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
3-[1-(2-methylphenyl)ethylamino]-1-piperidin-1-ylpropan-1-one
CID 115707228
3-[(2-methoxy-1-phenylethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 103463484
2-[1-(2-fluorophenyl)propylamino]acetamide
CID 112676826
3-(2,6-difluoroanilino)-1-pyrrolidin-1-ylpropan-1-one
CID 109013409
N-(2-cyclohexylethyl)-1-(2-fluorophenyl)propan-1-amine
CID 112676958
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
(3R)-3-(2-fluorophenyl)-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 26392913
1-(2-fluorophenyl)-N-(3-hydroxysulfanylpropyl)propan-1-amine
CID 143236247

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one (CID 115970369) is 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one is CCC(NCCC(=O)N1CCCC1)c1ccccc1F.
What is the InChIKey of 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is NVLZBVXODPLPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-2-15(13-7-3-4-8-14(13)17)18-10-9-16(20)19-11-5-6-12-19/h3-4,7-8,15,18H,2,5-6,9-12H2,1H3.
What are the key properties of 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one?
3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 278.37 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-fluorophenyl)propylamino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 115970369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).