(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine

C13H17FN2 — CID 105476002

IUPAC(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
SMILESNCC1CCC2Cc3ccc(F)cc3N2C1
InChIInChI=1S/C13H17FN2/c14-11-3-2-10-5-12-4-1-9(7-15)8-16(12)13(10)6-11/h2-3,6,9,12H,1,4-5,7-8,15H2
InChIKeyBOFLXUZUPAJDQU-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.93
Rot. Bonds1

About (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine

(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine (PubChem CID 105476002) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
PubChem CID105476002
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine
SMILESNCC1CCC2Cc3ccc(F)cc3N2C1
InChIInChI=1S/C13H17FN2/c14-11-3-2-10-5-12-4-1-9(7-15)8-16(12)13(10)6-11/h2-3,6,9,12H,1,4-5,7-8,15H2
InChIKeyBOFLXUZUPAJDQU-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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Related Compounds

(9-fluoro-2,3,4,4a,5,6-hexahydro-1H-benzo[c]quinolizin-2-yl)methanamine
CID 105494822
(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)sulfonyl]piperidin-3-yl]methanamine
CID 103504236
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[1-(4-fluoro-2-iodophenyl)pyrrolidin-3-yl]methanamine
CID 79766665
(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
4-(aminomethyl)-1-(5-fluoro-2-hydroxyphenyl)pyrrolidin-2-one
CID 168660608
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-7-ol
CID 105444334
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
[1-[(2-chloro-4-fluorophenyl)methyl]-6-methylpiperidin-3-yl]methanamine
CID 54989344

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The IUPAC name of (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine (CID 105476002) is (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine.
What is the SMILES notation for (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The canonical SMILES for (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine is NCC1CCC2Cc3ccc(F)cc3N2C1.
What is the InChIKey of (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
The InChIKey is BOFLXUZUPAJDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-3-2-10-5-12-4-1-9(7-15)8-16(12)13(10)6-11/h2-3,6,9,12H,1,4-5,7-8,15H2.
What are the key properties of (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine?
(3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-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 (3-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-7-yl)methanamine is sourced from PubChem (CID 105476002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).