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

C13H15FN2 — CID 105472592

IUPAC(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
SMILESNCC1CCn2c(cc3c(F)cccc32)C1
InChIInChI=1S/C13H15FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,7,9H,4-6,8,15H2
InChIKeyJCURRLSLIWAUMR-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.30
Rot. Bonds1

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

(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine (PubChem CID 105472592) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine.

Molecular Properties

Compound Name(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
PubChem CID105472592
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
SMILESNCC1CCn2c(cc3c(F)cccc32)C1
InChIInChI=1S/C13H15FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,7,9H,4-6,8,15H2
InChIKeyJCURRLSLIWAUMR-UHFFFAOYSA-N
XLogP2.30
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine?
The IUPAC name of (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine (CID 105472592) is (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine.
What is the SMILES notation for (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine?
The canonical SMILES for (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine is NCC1CCn2c(cc3c(F)cccc32)C1.
What is the InChIKey of (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine?
The InChIKey is JCURRLSLIWAUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c14-12-2-1-3-13-11(12)7-10-6-9(8-15)4-5-16(10)13/h1-3,7,9H,4-6,8,15H2.
What are the key properties of (1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine?
(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine has a molecular weight of 218.28 g/mol, XLogP of 2.30, 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-tetrahydropyrido[1,2-a]indol-8-yl)methanamine is sourced from PubChem (CID 105472592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).