(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

C17H16FNO — CID 105046082

IUPAC(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H16FNO/c1-10-3-4-11(2)14(7-10)17(19)16-9-12-8-13(18)5-6-15(12)20-16/h3-9,17H,19H2,1-2H3
InChIKeyUDCIYYGJMQURIL-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.24
Rot. Bonds2

About (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine

(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105046082) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105046082
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1ccc(C)c(C(N)c2cc3cc(F)ccc3o2)c1
InChIInChI=1S/C17H16FNO/c1-10-3-4-11(2)14(7-10)17(19)16-9-12-8-13(18)5-6-15(12)20-16/h3-9,17H,19H2,1-2H3
InChIKeyUDCIYYGJMQURIL-UHFFFAOYSA-N
XLogP4.24
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chloro-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046147
[(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105211506
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanamine
CID 105046160
(5-fluoro-2-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726422
(4-bromo-2-methylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 105046089
[(5-fluoro-1-benzofuran-2-yl)-(2-fluoro-4-methylphenyl)methyl]hydrazine
CID 105338645
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanamine
CID 105185794
1-benzofuran-2-yl-(4-fluoro-2-methylphenyl)methanamine
CID 55182202
(2-methoxy-5-methylphenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326884
(5-fluoro-1-benzofuran-2-yl)-(2-iodophenyl)methanamine
CID 105046202
(4-bromo-2-fluorophenyl)-(5-methyl-1-benzofuran-2-yl)methanamine
CID 82971197
1-benzofuran-2-yl-(5-methyl-1-benzofuran-2-yl)methanamine
CID 63326539

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine (CID 105046082) is (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is Cc1ccc(C)c(C(N)c2cc3cc(F)ccc3o2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is UDCIYYGJMQURIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-10-3-4-11(2)14(7-10)17(19)16-9-12-8-13(18)5-6-15(12)20-16/h3-9,17H,19H2,1-2H3.
What are the key properties of (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine?
(2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 269.32 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105046082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).