1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine

C13H19FN2 — CID 117200088

IUPAC1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCCN1CC(C(C)NC)c2c(F)cccc21
InChIInChI=1S/C13H19FN2/c1-4-16-8-10(9(2)15-3)13-11(14)6-5-7-12(13)16/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyVNKRGUFOTHVBQJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.36
Rot. Bonds3

About 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine

1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine (PubChem CID 117200088) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine
PubChem CID117200088
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine
SMILESCCN1CC(C(C)NC)c2c(F)cccc21
InChIInChI=1S/C13H19FN2/c1-4-16-8-10(9(2)15-3)13-11(14)6-5-7-12(13)16/h5-7,9-10,15H,4,8H2,1-3H3
InChIKeyVNKRGUFOTHVBQJ-UHFFFAOYSA-N
XLogP2.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine (CID 117200088) is 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine is CCN1CC(C(C)NC)c2c(F)cccc21.
What is the InChIKey of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine?
The InChIKey is VNKRGUFOTHVBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-4-16-8-10(9(2)15-3)13-11(14)6-5-7-12(13)16/h5-7,9-10,15H,4,8H2,1-3H3.
What are the key properties of 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine?
1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine has a molecular weight of 222.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-fluoro-2,3-dihydroindol-3-yl)-N-methylethanamine is sourced from PubChem (CID 117200088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).