1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine

C14H20FNO2 — CID 66364142

IUPAC1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO2/c1-3-14(2,16)9-17-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12H,3,7-9,16H2,1-2H3
InChIKeyFJBFCQAPVMWZJK-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

About 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine

1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine (PubChem CID 66364142) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
PubChem CID66364142
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COCC1Cc2cc(F)ccc2O1
InChIInChI=1S/C14H20FNO2/c1-3-14(2,16)9-17-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12H,3,7-9,16H2,1-2H3
InChIKeyFJBFCQAPVMWZJK-UHFFFAOYSA-N
XLogP2.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine (CID 66364142) is 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine is CCC(C)(N)COCC1Cc2cc(F)ccc2O1.
What is the InChIKey of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine?
The InChIKey is FJBFCQAPVMWZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-14(2,16)9-17-8-12-7-10-6-11(15)4-5-13(10)18-12/h4-6,12H,3,7-9,16H2,1-2H3.
What are the key properties of 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine?
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine has a molecular weight of 253.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]-2-methylbutan-2-amine is sourced from PubChem (CID 66364142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).