4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

C16H24FNO — CID 66362834

IUPAC4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCC1Cc2cc(F)ccc2O1)CNC(C)C
InChIInChI=1S/C16H24FNO/c1-11(2)18-10-12(3)4-6-15-9-13-8-14(17)5-7-16(13)19-15/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3
InChIKeyQDCDVHXTHHFGSC-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.54
Rot. Bonds6

About 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine

4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 66362834) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
PubChem CID66362834
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(CCC1Cc2cc(F)ccc2O1)CNC(C)C
InChIInChI=1S/C16H24FNO/c1-11(2)18-10-12(3)4-6-15-9-13-8-14(17)5-7-16(13)19-15/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3
InChIKeyQDCDVHXTHHFGSC-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine (CID 66362834) is 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is CC(CCC1Cc2cc(F)ccc2O1)CNC(C)C.
What is the InChIKey of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is QDCDVHXTHHFGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-11(2)18-10-12(3)4-6-15-9-13-8-14(17)5-7-16(13)19-15/h5,7-8,11-12,15,18H,4,6,9-10H2,1-3H3.
What are the key properties of 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine?
4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)-2-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 66362834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).