2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine

C15H20FNO — CID 107443765

IUPAC2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
SMILESCc1cccc2cc(C(F)C(CN)C(C)C)oc12
InChIInChI=1S/C15H20FNO/c1-9(2)12(8-17)14(16)13-7-11-6-4-5-10(3)15(11)18-13/h4-7,9,12,14H,8,17H2,1-3H3
InChIKeyFROWPCNAVITJKZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.98
Rot. Bonds4

About 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine

2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine (PubChem CID 107443765) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
PubChem CID107443765
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
SMILESCc1cccc2cc(C(F)C(CN)C(C)C)oc12
InChIInChI=1S/C15H20FNO/c1-9(2)12(8-17)14(16)13-7-11-6-4-5-10(3)15(11)18-13/h4-7,9,12,14H,8,17H2,1-3H3
InChIKeyFROWPCNAVITJKZ-UHFFFAOYSA-N
XLogP3.98
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine?
The IUPAC name of 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine (CID 107443765) is 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine is Cc1cccc2cc(C(F)C(CN)C(C)C)oc12.
What is the InChIKey of 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine?
The InChIKey is FROWPCNAVITJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-9(2)12(8-17)14(16)13-7-11-6-4-5-10(3)15(11)18-13/h4-7,9,12,14H,8,17H2,1-3H3.
What are the key properties of 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine?
2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine has a molecular weight of 249.33 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine is sourced from PubChem (CID 107443765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).