(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine

C14H19FN2 — CID 105494822

IUPAC(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
SMILESNCC1CCC2CCc3ccc(F)cc3N2C1
InChIInChI=1S/C14H19FN2/c15-12-4-2-11-3-6-13-5-1-10(8-16)9-17(13)14(11)7-12/h2,4,7,10,13H,1,3,5-6,8-9,16H2
InChIKeyOAUSYVHSOPWYSM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.32
Rot. Bonds1

About (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine

(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine (PubChem CID 105494822) has the molecular formula C14H19FN2 and a molecular weight of 234.32 g/mol. Its IUPAC name is (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine.

Molecular Properties

Compound Name(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
PubChem CID105494822
Molecular FormulaC14H19FN2
Molecular Weight234.32 g/mol
Exact Mass234.15
IUPAC Name(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
SMILESNCC1CCC2CCc3ccc(F)cc3N2C1
InChIInChI=1S/C14H19FN2/c15-12-4-2-11-3-6-13-5-1-10(8-16)9-17(13)14(11)7-12/h2,4,7,10,13H,1,3,5-6,8-9,16H2
InChIKeyOAUSYVHSOPWYSM-UHFFFAOYSA-N
XLogP2.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine with MolForge

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Related Compounds

(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105476002
[1-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
(2-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
CID 105498595
7-(aminomethyl)-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-2-ol
CID 105472846
(7-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-3-yl)methanamine
CID 105459047
1-(6-fluoro-2,3-dihydroindol-1-yl)-2,3-dihydro-1H-inden-5-amine
CID 103504352
(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
CID 105476034
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
6-fluoro-1-pyrrolidin-3-yl-2,3-dihydroindole
CID 103495858
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344

Frequently Asked Questions

What is the IUPAC name of (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine?
The IUPAC name of (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine (CID 105494822) is (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine.
What is the SMILES notation for (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine?
The canonical SMILES for (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine is NCC1CCC2CCc3ccc(F)cc3N2C1.
What is the InChIKey of (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine?
The InChIKey is OAUSYVHSOPWYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2/c15-12-4-2-11-3-6-13-5-1-10(8-16)9-17(13)14(11)7-12/h2,4,7,10,13H,1,3,5-6,8-9,16H2.
What are the key properties of (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine?
(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine has a molecular weight of 234.32 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine is sourced from PubChem (CID 105494822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).