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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Related Compounds

3-methoxy-1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 114728058
3-amino-1,1,1-trifluoro-2-(7-methyl-1-benzofuran-2-yl)butan-2-ol
CID 114733020
2-(methoxymethyl)-7-methyl-1-benzofuran
CID 117186379
5-amino-2-(1-benzofuran-2-yl)-1-methoxypentan-2-ol
CID 103391600
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
CID 103392579
4-fluoro-5-methoxy-4-(2-methoxy-3,4-dimethylphenyl)pentan-1-amine
CID 103434758
4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392614
1-(7-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440950
N-ethyl-4-methyl-4-(7-methyl-1-benzofuran-2-yl)pentan-2-amine
CID 114733597
2-(7-fluoro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114735426
2-[fluoro-(7-methyl-1-benzofuran-2-yl)methyl]-3-methylbutan-1-amine
CID 107443765
4-(2-ethylpyrazol-3-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392371

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).