3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine

C13H17FN2 — CID 112565836

IUPAC3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2NCc3ccccc32)C1
InChIInChI=1S/C13H17FN2/c14-13(6-5-10(15)7-13)12-11-4-2-1-3-9(11)8-16-12/h1-4,10,12,16H,5-8,15H2
InChIKeyKRMAFBWDPOGKHZ-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.05
Rot. Bonds1

About 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine

3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine (PubChem CID 112565836) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine
PubChem CID112565836
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine
SMILESNC1CCC(F)(C2NCc3ccccc32)C1
InChIInChI=1S/C13H17FN2/c14-13(6-5-10(15)7-13)12-11-4-2-1-3-9(11)8-16-12/h1-4,10,12,16H,5-8,15H2
InChIKeyKRMAFBWDPOGKHZ-UHFFFAOYSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)cyclohexan-1-ol
CID 80561247
1-(2,3-dihydro-1H-isoindol-1-yl)cyclobutan-1-ol
CID 79080572
3-(2,3-dihydro-1H-isoindol-1-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 65042082
1-(2,3-dihydro-1H-isoindol-1-yl)-3-methylcyclohexan-1-ol
CID 65041706
1-[(3,3-difluorocyclopentyl)methyl]-2,3-dihydro-1H-isoindole
CID 114225261
3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluoro-1-hydroxypiperidine-2,2,6-triol
CID 142739299
4-(2,3-dihydro-1H-isoindol-1-yl)cyclohexan-1-amine
CID 83261375
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
1-(2,3-dihydro-1H-isoindol-1-yl)-3-ethoxycyclobutan-1-ol
CID 106823260
1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828
3-fluoro-3-(2-fluorophenyl)cyclopentan-1-amine
CID 112565720

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine?
The IUPAC name of 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine (CID 112565836) is 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine.
What is the SMILES notation for 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine?
The canonical SMILES for 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine is NC1CCC(F)(C2NCc3ccccc32)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine?
The InChIKey is KRMAFBWDPOGKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-13(6-5-10(15)7-13)12-11-4-2-1-3-9(11)8-16-12/h1-4,10,12,16H,5-8,15H2.
What are the key properties of 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine?
3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-isoindol-1-yl)-3-fluorocyclopentan-1-amine is sourced from PubChem (CID 112565836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).