4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine

C15H20FNO2 — CID 103392440

IUPAC4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20FNO2/c1-11-5-3-6-12-9-13(19-14(11)12)15(16,10-18-2)7-4-8-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyOAHIAJOQLJDLCB-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.29
Rot. Bonds6

About 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine

4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine (PubChem CID 103392440) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
PubChem CID103392440
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine
SMILESCOCC(F)(CCCN)c1cc2cccc(C)c2o1
InChIInChI=1S/C15H20FNO2/c1-11-5-3-6-12-9-13(19-14(11)12)15(16,10-18-2)7-4-8-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3
InChIKeyOAHIAJOQLJDLCB-UHFFFAOYSA-N
XLogP3.29
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The IUPAC name of 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine (CID 103392440) is 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine.
What is the SMILES notation for 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The canonical SMILES for 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine is COCC(F)(CCCN)c1cc2cccc(C)c2o1.
What is the InChIKey of 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
The InChIKey is OAHIAJOQLJDLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-11-5-3-6-12-9-13(19-14(11)12)15(16,10-18-2)7-4-8-17/h3,5-6,9H,4,7-8,10,17H2,1-2H3.
What are the key properties of 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine?
4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine has a molecular weight of 265.33 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-methoxy-4-(7-methyl-1-benzofuran-2-yl)pentan-1-amine is sourced from PubChem (CID 103392440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).