1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine

C15H21FN2 — CID 115560206

IUPAC1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CC2CCCC2C1
InChIInChI=1S/C15H21FN2/c1-10(17)15-13(16)6-3-7-14(15)18-8-11-4-2-5-12(11)9-18/h3,6-7,10-12H,2,4-5,8-9,17H2,1H3
InChIKeyHSPUGGWNZVHXSE-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.08
Rot. Bonds2

About 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine

1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine (PubChem CID 115560206) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
PubChem CID115560206
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
SMILESCC(N)c1c(F)cccc1N1CC2CCCC2C1
InChIInChI=1S/C15H21FN2/c1-10(17)15-13(16)6-3-7-14(15)18-8-11-4-2-5-12(11)9-18/h3,6-7,10-12H,2,4-5,8-9,17H2,1H3
InChIKeyHSPUGGWNZVHXSE-UHFFFAOYSA-N
XLogP3.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine
CID 113335795
1-[2-(3,4-dimethoxypyrrolidin-1-yl)-6-fluorophenyl]ethanamine
CID 103534523
1-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-6-fluorophenyl]ethanamine
CID 102726773
(1S)-1-[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 78934450
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)phenyl]ethanamine
CID 115560215
(1S)-1-[2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-6-fluorophenyl]ethanol
CID 78939853
1-[1-[2-[(1S)-1-aminoethyl]-3-fluorophenyl]piperidin-4-yl]ethanol
CID 106836283
(1R)-1-[2-(4-tert-butylpiperidin-1-yl)-6-fluorophenyl]ethanamine
CID 63368988
(1R)-1-[2-(1,3-dihydroisoindol-2-yl)-6-fluorophenyl]ethanamine
CID 78935636
1-[2-[(1R)-1-aminoethyl]-3-fluorophenyl]-N,N-diethylpyrrolidin-3-amine
CID 63369298
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
(1R)-1-[2-(3-azaspiro[5.5]undecan-3-yl)-6-fluorophenyl]ethanamine
CID 63368928

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine?
The IUPAC name of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine (CID 115560206) is 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine?
The canonical SMILES for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine is CC(N)c1c(F)cccc1N1CC2CCCC2C1.
What is the InChIKey of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine?
The InChIKey is HSPUGGWNZVHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-10(17)15-13(16)6-3-7-14(15)18-8-11-4-2-5-12(11)9-18/h3,6-7,10-12H,2,4-5,8-9,17H2,1H3.
What are the key properties of 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine?
1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine has a molecular weight of 248.34 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-6-fluorophenyl]ethanamine is sourced from PubChem (CID 115560206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).