6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine

C19H24FN3 — CID 22624294

IUPAC6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(F)c2)C1
InChIInChI=1S/C19H24FN3/c1-13(2)11-23-9-8-15(12-23)14-6-7-16(17(20)10-14)18-4-3-5-19(21)22-18/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H2,21,22)
InChIKeyHMZLYLMNOUOJFX-UHFFFAOYSA-N
MW313.42 g/mol
LogP3.92
Rot. Bonds4

About 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine

6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine (PubChem CID 22624294) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
PubChem CID22624294
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine
SMILESCC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(F)c2)C1
InChIInChI=1S/C19H24FN3/c1-13(2)11-23-9-8-15(12-23)14-6-7-16(17(20)10-14)18-4-3-5-19(21)22-18/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H2,21,22)
InChIKeyHMZLYLMNOUOJFX-UHFFFAOYSA-N
XLogP3.92
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The IUPAC name of 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine (CID 22624294) is 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine.
What is the SMILES notation for 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The canonical SMILES for 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine is CC(C)CN1CCC(c2ccc(-c3cccc(N)n3)c(F)c2)C1.
What is the InChIKey of 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
The InChIKey is HMZLYLMNOUOJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3/c1-13(2)11-23-9-8-15(12-23)14-6-7-16(17(20)10-14)18-4-3-5-19(21)22-18/h3-7,10,13,15H,8-9,11-12H2,1-2H3,(H2,21,22).
What are the key properties of 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine?
6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine has a molecular weight of 313.42 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-fluoro-4-[1-(2-methylpropyl)pyrrolidin-3-yl]phenyl]pyridin-2-amine is sourced from PubChem (CID 22624294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).