1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine

C17H25FN2 — CID 65320533

IUPAC1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1N1CCCC2CCCC21
InChIInChI=1S/C17H25FN2/c1-12(19-2)17-14(18)8-4-10-16(17)20-11-5-7-13-6-3-9-15(13)20/h4,8,10,12-13,15,19H,3,5-7,9,11H2,1-2H3
InChIKeyAXYLOFCFZRXJPQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine

1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine (PubChem CID 65320533) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
PubChem CID65320533
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine
SMILESCNC(C)c1c(F)cccc1N1CCCC2CCCC21
InChIInChI=1S/C17H25FN2/c1-12(19-2)17-14(18)8-4-10-16(17)20-11-5-7-13-6-3-9-15(13)20/h4,8,10,12-13,15,19H,3,5-7,9,11H2,1-2H3
InChIKeyAXYLOFCFZRXJPQ-UHFFFAOYSA-N
XLogP3.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine (CID 65320533) is 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine is CNC(C)c1c(F)cccc1N1CCCC2CCCC21.
What is the InChIKey of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine?
The InChIKey is AXYLOFCFZRXJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-12(19-2)17-14(18)8-4-10-16(17)20-11-5-7-13-6-3-9-15(13)20/h4,8,10,12-13,15,19H,3,5-7,9,11H2,1-2H3.
What are the key properties of 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine?
1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine has a molecular weight of 276.40 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-6-fluorophenyl]-N-methylethanamine is sourced from PubChem (CID 65320533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).