[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine

C15H20FNO2 — CID 114534064

IUPAC[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-10-15(9-17,4-5-18-10)8-13-7-11-6-12(16)2-3-14(11)19-13/h2-3,6,10,13H,4-5,7-9,17H2,1H3
InChIKeyIUXCGNFMKXPSFY-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.27
Rot. Bonds3

About [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine

[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine (PubChem CID 114534064) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
PubChem CID114534064
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)CC1Cc2cc(F)ccc2O1
InChIInChI=1S/C15H20FNO2/c1-10-15(9-17,4-5-18-10)8-13-7-11-6-12(16)2-3-14(11)19-13/h2-3,6,10,13H,4-5,7-9,17H2,1H3
InChIKeyIUXCGNFMKXPSFY-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine (CID 114534064) is [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)CC1Cc2cc(F)ccc2O1.
What is the InChIKey of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine?
The InChIKey is IUXCGNFMKXPSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-15(9-17,4-5-18-10)8-13-7-11-6-12(16)2-3-14(11)19-13/h2-3,6,10,13H,4-5,7-9,17H2,1H3.
What are the key properties of [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine?
[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine has a molecular weight of 265.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 114534064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).