(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine

C13H17FN2 — CID 105476034

IUPAC(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
SMILESNCC1CC2CCc3cccc(F)c3N2C1
InChIInChI=1S/C13H17FN2/c14-12-3-1-2-10-4-5-11-6-9(7-15)8-16(11)13(10)12/h1-3,9,11H,4-8,15H2
InChIKeyJLHYMZNJLJWOLW-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.93
Rot. Bonds1

About (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine

(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine (PubChem CID 105476034) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine.

Molecular Properties

Compound Name(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
PubChem CID105476034
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
SMILESNCC1CC2CCc3cccc(F)c3N2C1
InChIInChI=1S/C13H17FN2/c14-12-3-1-2-10-4-5-11-6-9(7-15)8-16(11)13(10)12/h1-3,9,11H,4-8,15H2
InChIKeyJLHYMZNJLJWOLW-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The IUPAC name of (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine (CID 105476034) is (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine.
What is the SMILES notation for (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The canonical SMILES for (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine is NCC1CC2CCc3cccc(F)c3N2C1.
What is the InChIKey of (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
The InChIKey is JLHYMZNJLJWOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-12-3-1-2-10-4-5-11-6-9(7-15)8-16(11)13(10)12/h1-3,9,11H,4-8,15H2.
What are the key properties of (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine?
(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine has a molecular weight of 220.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine is sourced from PubChem (CID 105476034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).