4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine

C16H21FN2O — CID 117184085

IUPAC4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
SMILESCC(C)n1c(CN2CCOCC2)cc2cccc(F)c21
InChIInChI=1S/C16H21FN2O/c1-12(2)19-14(11-18-6-8-20-9-7-18)10-13-4-3-5-15(17)16(13)19/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyWRRRYBBOVBSNNH-UHFFFAOYSA-N
MW276.35 g/mol
LogP3.19
Rot. Bonds3

About 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine

4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine (PubChem CID 117184085) has the molecular formula C16H21FN2O and a molecular weight of 276.35 g/mol. Its IUPAC name is 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
PubChem CID117184085
Molecular FormulaC16H21FN2O
Molecular Weight276.35 g/mol
Exact Mass276.16
IUPAC Name4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine
SMILESCC(C)n1c(CN2CCOCC2)cc2cccc(F)c21
InChIInChI=1S/C16H21FN2O/c1-12(2)19-14(11-18-6-8-20-9-7-18)10-13-4-3-5-15(17)16(13)19/h3-5,10,12H,6-9,11H2,1-2H3
InChIKeyWRRRYBBOVBSNNH-UHFFFAOYSA-N
XLogP3.19
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine?
The IUPAC name of 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine (CID 117184085) is 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine.
What is the SMILES notation for 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine?
The canonical SMILES for 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine is CC(C)n1c(CN2CCOCC2)cc2cccc(F)c21.
What is the InChIKey of 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine?
The InChIKey is WRRRYBBOVBSNNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O/c1-12(2)19-14(11-18-6-8-20-9-7-18)10-13-4-3-5-15(17)16(13)19/h3-5,10,12H,6-9,11H2,1-2H3.
What are the key properties of 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine?
4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine has a molecular weight of 276.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-fluoro-1-propan-2-ylindol-2-yl)methyl]morpholine is sourced from PubChem (CID 117184085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).