1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine

C16H22F2N2 — CID 123144734

IUPAC1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESNC(CCN1CCCC1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C16H22F2N2/c17-14-9-11-3-4-12(13(11)10-15(14)18)16(19)5-8-20-6-1-2-7-20/h9-10,12,16H,1-8,19H2
InChIKeyCWASLGKBNCTTMP-UHFFFAOYSA-N
MW280.36 g/mol
LogP2.81
Rot. Bonds4

About 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine

1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine (PubChem CID 123144734) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound Name1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine
PubChem CID123144734
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine
SMILESNC(CCN1CCCC1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C16H22F2N2/c17-14-9-11-3-4-12(13(11)10-15(14)18)16(19)5-8-20-6-1-2-7-20/h9-10,12,16H,1-8,19H2
InChIKeyCWASLGKBNCTTMP-UHFFFAOYSA-N
XLogP2.81
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(3-aminoazetidin-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123796248
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-[4-(2-methoxyethyl)piperazin-1-yl]propan-1-one
CID 123942977
3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(4-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)propan-1-one
CID 123624545
1-(3a,7a-dihydroindol-1-yl)-3-amino-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
CID 123991646
4-amino-4-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-1-(1,6,7-trimethylpyrazolo[4,5-c]pyridazin-3-yl)butan-2-ol
CID 123946504
N-[[(2S)-1-[(3S)-3-amino-3-[(1S)-5,6-difluoro-2,3-dihydro-1H-inden-1-yl]propanoyl]pyrrolidin-2-yl]methyl]-5-(azetidin-1-ylsulfonyl)-2,4-difluorobenzamide
CID 171356345
4-piperidin-1-ylbutane-1,2-diamine
CID 68919851
(1S)-1-(4-cyclopropyloxy-3-fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol;methanamine
CID 144811393
1-[3-(3,4-difluorophenoxy)butyl]piperidine
CID 173309705
1-(2-fluorophenyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 62643582
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
1-(2,3-dihydro-1H-inden-1-yl)-3-(1-methylpyrazol-4-yl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine (CID 123144734) is 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine is NC(CCN1CCCC1)C1CCc2cc(F)c(F)cc21.
What is the InChIKey of 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is CWASLGKBNCTTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c17-14-9-11-3-4-12(13(11)10-15(14)18)16(19)5-8-20-6-1-2-7-20/h9-10,12,16H,1-8,19H2.
What are the key properties of 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine?
1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 280.36 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)-3-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 123144734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).