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

C13H17FN2 — CID 105475993

IUPAC(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
SMILESNCC1CCN2c3cccc(F)c3CC2C1
InChIInChI=1S/C13H17FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2
InChIKeyFOKCEEQPISNEBZ-UHFFFAOYSA-N
MW220.29 g/mol
LogP1.93
Rot. Bonds1

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

(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine (PubChem CID 105475993) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine.

Molecular Properties

Compound Name(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
PubChem CID105475993
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
SMILESNCC1CCN2c3cccc(F)c3CC2C1
InChIInChI=1S/C13H17FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2
InChIKeyFOKCEEQPISNEBZ-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

(1-chloro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105498590
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
(9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinolin-2-yl)methanamine
CID 105476034
(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105472592
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
2-(1-ethyl-4-fluoro-2,3-dihydroindol-2-yl)ethanamine
CID 117198805
[1-(2-fluorophenyl)azepan-3-yl]methanamine
CID 84687805
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255
[(2S)-1-(2-fluorophenyl)pyrrolidin-2-yl]methanamine
CID 130691324
2-amino-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indol-5-ol
CID 105444328
14-oxa-2-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-5-ylmethanamine
CID 70636665

Frequently Asked Questions

What is the IUPAC name of (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The IUPAC name of (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine (CID 105475993) is (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine.
What is the SMILES notation for (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The canonical SMILES for (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine is NCC1CCN2c3cccc(F)c3CC2C1.
What is the InChIKey of (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
The InChIKey is FOKCEEQPISNEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,9-10H,4-8,15H2.
What are the key properties of (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine?
(1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-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 (1-fluoro-6,7,8,9,9a,10-hexahydropyrido[1,2-a]indol-8-yl)methanamine is sourced from PubChem (CID 105475993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).