4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one

C14H19FN2O — CID 119288514

IUPAC4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-5-1-4-11(10-12)13-6-3-9-17(13)14(18)7-2-8-16/h1,4-5,10,13H,2-3,6-9,16H2
InChIKeyJDVWLLURESIDDR-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.23
Rot. Bonds4

About 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one

4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 119288514) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
PubChem CID119288514
Molecular FormulaC14H19FN2O
Molecular Weight250.32 g/mol
Exact Mass250.15
IUPAC Name4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one
SMILESNCCCC(=O)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C14H19FN2O/c15-12-5-1-4-11(10-12)13-6-3-9-17(13)14(18)7-2-8-16/h1,4-5,10,13H,2-3,6-9,16H2
InChIKeyJDVWLLURESIDDR-UHFFFAOYSA-N
XLogP2.23
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-(3-methylphenyl)azepan-1-yl]butan-1-one
CID 119328740
6-amino-1-(2-phenylpyrrolidin-1-yl)hexan-1-one
CID 43579532
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one
CID 54872368
3-amino-1-[2-(3-bromophenyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119291405
2-(3-fluorophenyl)piperidine-1-carboxamide
CID 141445896
6-amino-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 43579466
[1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 47382100
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 50746973
1-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630998
1-[(2S)-2-(3-fluorophenyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 94630999
7-amino-1-[2-(4-fluorophenyl)piperidin-1-yl]heptan-1-one;hydrochloride
CID 119810095
(2-fluorophenyl)-[2-(3-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747079

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one (CID 119288514) is 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one is NCCCC(=O)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is JDVWLLURESIDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c15-12-5-1-4-11(10-12)13-6-3-9-17(13)14(18)7-2-8-16/h1,4-5,10,13H,2-3,6-9,16H2.
What are the key properties of 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one?
4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 250.32 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(3-fluorophenyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 119288514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).