(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C17H16FNO — CID 105047575

IUPAC(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cccc(C(N)c2cc3cccc(F)c3o2)c1C
InChIInChI=1S/C17H16FNO/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9,16H,19H2,1-2H3
InChIKeyVTYCPMHFRAHZGC-UHFFFAOYSA-N
MW269.32 g/mol
LogP4.24
Rot. Bonds2

About (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105047575) has the molecular formula C17H16FNO and a molecular weight of 269.32 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105047575
Molecular FormulaC17H16FNO
Molecular Weight269.32 g/mol
Exact Mass269.12
IUPAC Name(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cccc(C(N)c2cc3cccc(F)c3o2)c1C
InChIInChI=1S/C17H16FNO/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9,16H,19H2,1-2H3
InChIKeyVTYCPMHFRAHZGC-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

(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
1-benzofuran-2-yl-(2,3-dimethylphenyl)methanamine
CID 63090603
(3-chloro-2-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107103118
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(7-methyl-1-benzofuran-2-yl)-(2,4,6-trifluorophenyl)methanamine
CID 105045627
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 105047575) is (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is Cc1cccc(C(N)c2cc3cccc(F)c3o2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is VTYCPMHFRAHZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO/c1-10-5-3-7-13(11(10)2)16(19)15-9-12-6-4-8-14(18)17(12)20-15/h3-9,16H,19H2,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(2,3-dimethylphenyl)-(7-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 (2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105047575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).