(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C17H15BrFNO — CID 114731507

IUPAC(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(F)c3o2)cc(C)c1Br
InChIInChI=1S/C17H15BrFNO/c1-9-6-12(7-10(2)15(9)18)16(20)14-8-11-4-3-5-13(19)17(11)21-14/h3-8,16H,20H2,1-2H3
InChIKeyYPWSDAWPMUPDSJ-UHFFFAOYSA-N
MW348.22 g/mol
LogP5.00
Rot. Bonds2

About (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 114731507) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID114731507
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(F)c3o2)cc(C)c1Br
InChIInChI=1S/C17H15BrFNO/c1-9-6-12(7-10(2)15(9)18)16(20)14-8-11-4-3-5-13(19)17(11)21-14/h3-8,16H,20H2,1-2H3
InChIKeyYPWSDAWPMUPDSJ-UHFFFAOYSA-N
XLogP5.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(7-fluoro-1-benzofuran-2-yl)-(3-methoxy-4-methylphenyl)methanamine
CID 105047479
(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(7-fluoro-1-benzofuran-2-yl)-(3-iodophenyl)methanamine
CID 105047405
(3-bromophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 112614663
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105186511
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(3-bromo-5-chlorophenyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 107946844
(1-ethylpyrazol-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614611
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 114731507) is (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is Cc1cc(C(N)c2cc3cccc(F)c3o2)cc(C)c1Br.
What is the InChIKey of (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is YPWSDAWPMUPDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-9-6-12(7-10(2)15(9)18)16(20)14-8-11-4-3-5-13(19)17(11)21-14/h3-8,16H,20H2,1-2H3.
What are the key properties of (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 348.22 g/mol, XLogP of 5.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 114731507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).