2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine

C15H23FN2O — CID 103503130

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O/c1-11(2)17-9-14(10-19-3)18-7-6-12-4-5-13(16)8-15(12)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyVTONRTAXQYPVLJ-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.20
Rot. Bonds6

About 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine

2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine (PubChem CID 103503130) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
PubChem CID103503130
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine
SMILESCOCC(CNC(C)C)N1CCc2ccc(F)cc21
InChIInChI=1S/C15H23FN2O/c1-11(2)17-9-14(10-19-3)18-7-6-12-4-5-13(16)8-15(12)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3
InChIKeyVTONRTAXQYPVLJ-UHFFFAOYSA-N
XLogP2.20
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine (CID 103503130) is 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine is COCC(CNC(C)C)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
The InChIKey is VTONRTAXQYPVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-11(2)17-9-14(10-19-3)18-7-6-12-4-5-13(16)8-15(12)18/h4-5,8,11,14,17H,6-7,9-10H2,1-3H3.
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine?
2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine has a molecular weight of 266.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)-3-methoxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 103503130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).