1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine

C12H17FN2 — CID 120847632

IUPAC1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCc2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-12(2,14)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyOYGNMVPVEUAAQL-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.93
Rot. Bonds2

About 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine

1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine (PubChem CID 120847632) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine.

Molecular Properties

Compound Name1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine
PubChem CID120847632
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine
SMILESCC(C)(N)CN1CCc2cc(F)ccc21
InChIInChI=1S/C12H17FN2/c1-12(2,14)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-4,7H,5-6,8,14H2,1-2H3
InChIKeyOYGNMVPVEUAAQL-UHFFFAOYSA-N
XLogP1.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine?
The IUPAC name of 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine (CID 120847632) is 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine.
What is the SMILES notation for 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine?
The canonical SMILES for 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine is CC(C)(N)CN1CCc2cc(F)ccc21.
What is the InChIKey of 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine?
The InChIKey is OYGNMVPVEUAAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-12(2,14)8-15-6-5-9-7-10(13)3-4-11(9)15/h3-4,7H,5-6,8,14H2,1-2H3.
What are the key properties of 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine?
1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine has a molecular weight of 208.28 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2,3-dihydroindol-1-yl)-2-methylpropan-2-amine is sourced from PubChem (CID 120847632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).