(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine

C17H16FNO2 — CID 105047479

IUPAC(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3cccc(F)c3o2)ccc1C
InChIInChI=1S/C17H16FNO2/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16H,19H2,1-2H3
InChIKeyZYNDVUYTDIOPFZ-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.94
Rot. Bonds3

About (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine

(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine (PubChem CID 105047479) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
PubChem CID105047479
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
SMILESCOc1cc(C(N)c2cc3cccc(F)c3o2)ccc1C
InChIInChI=1S/C17H16FNO2/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16H,19H2,1-2H3
InChIKeyZYNDVUYTDIOPFZ-UHFFFAOYSA-N
XLogP3.94
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanol
CID 115836972
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
1-benzofuran-2-yl-(4-fluoro-3-methoxyphenyl)methanamine
CID 105043970
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-methylphenyl)methanol
CID 114723604
[(7-fluoro-1-benzofuran-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105190989
(3-methoxy-4-methylphenyl)-quinolin-8-ylmethanamine
CID 105021239

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine (CID 105047479) is (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine is COc1cc(C(N)c2cc3cccc(F)c3o2)ccc1C.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine?
The InChIKey is ZYNDVUYTDIOPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-10-6-7-11(8-14(10)20-2)16(19)15-9-12-4-3-5-13(18)17(12)21-15/h3-9,16H,19H2,1-2H3.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine?
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine has a molecular weight of 285.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine is sourced from PubChem (CID 105047479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).