8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine

C13H17FN2 — CID 105476015

IUPAC8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3cc(F)ccc3N12
InChIInChI=1S/C13H17FN2/c14-10-5-7-12-9(8-10)4-6-11-2-1-3-13(15)16(11)12/h5,7-8,11,13H,1-4,6,15H2
InChIKeyXKVVWMUOCMJHNN-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.42
Rot. Bonds

About 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine

8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (PubChem CID 105476015) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.

Molecular Properties

Compound Name8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
PubChem CID105476015
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
SMILESNC1CCCC2CCc3cc(F)ccc3N12
InChIInChI=1S/C13H17FN2/c14-10-5-7-12-9(8-10)4-6-11-2-1-3-13(15)16(11)12/h5,7-8,11,13H,1-4,6,15H2
InChIKeyXKVVWMUOCMJHNN-UHFFFAOYSA-N
XLogP2.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine with MolForge

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Related Compounds

1-amino-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-8-ol
CID 105472873
9-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498616
7-methoxy-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-1-amine
CID 105472893
10-chloro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine
CID 105498620
9-(2,4-difluorophenyl)-9-azabicyclo[3.3.1]nonan-3-one
CID 55105976
9-(4-fluoro-2-methoxyphenyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62714541
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328
6-fluoro-2-methyl-1-(3-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 3786582
6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
CID 121223710
(2R)-6-fluoro-2-methyl-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 903484
5-fluoro-1-piperidin-4-yl-2,3-dihydroindole
CID 67417842
(3R)-3-amino-1-cyclopentyl-5-fluoro-3H-indol-2-one
CID 51441516

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The IUPAC name of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine (CID 105476015) is 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine.
What is the SMILES notation for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The canonical SMILES for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is NC1CCCC2CCc3cc(F)ccc3N12.
What is the InChIKey of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
The InChIKey is XKVVWMUOCMJHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-10-5-7-12-9(8-10)4-6-11-2-1-3-13(15)16(11)12/h5,7-8,11,13H,1-4,6,15H2.
What are the key properties of 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine?
8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-1-amine is sourced from PubChem (CID 105476015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).