2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

C17H19FN2 — CID 177024597

IUPAC2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCC(C)c1c(F)cccc1-c1cc(N)c2c(n1)CCC2
InChIInChI=1S/C17H19FN2/c1-10(2)17-12(6-3-7-13(17)18)16-9-14(19)11-5-4-8-15(11)20-16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H2,19,20)
InChIKeyRDPFMHGZZDJQMO-UHFFFAOYSA-N
MW270.35 g/mol
LogP4.08
Rot. Bonds2

About 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine

2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (PubChem CID 177024597) has the molecular formula C17H19FN2 and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.

Molecular Properties

Compound Name2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
PubChem CID177024597
Molecular FormulaC17H19FN2
Molecular Weight270.35 g/mol
Exact Mass270.15
IUPAC Name2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine
SMILESCC(C)c1c(F)cccc1-c1cc(N)c2c(n1)CCC2
InChIInChI=1S/C17H19FN2/c1-10(2)17-12(6-3-7-13(17)18)16-9-14(19)11-5-4-8-15(11)20-16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H2,19,20)
InChIKeyRDPFMHGZZDJQMO-UHFFFAOYSA-N
XLogP4.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The IUPAC name of 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine (CID 177024597) is 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine.
What is the SMILES notation for 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The canonical SMILES for 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is CC(C)c1c(F)cccc1-c1cc(N)c2c(n1)CCC2.
What is the InChIKey of 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
The InChIKey is RDPFMHGZZDJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2/c1-10(2)17-12(6-3-7-13(17)18)16-9-14(19)11-5-4-8-15(11)20-16/h3,6-7,9-10H,4-5,8H2,1-2H3,(H2,19,20).
What are the key properties of 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine?
2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine has a molecular weight of 270.35 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-propan-2-ylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-amine is sourced from PubChem (CID 177024597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).