1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

C17H15BrFNO — CID 105047461

IUPAC1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ccc(C)cc1Br
InChIInChI=1S/C17H15BrFNO/c1-10-6-7-12(13(18)8-10)16(20-2)15-9-11-4-3-5-14(19)17(11)21-15/h3-9,16,20H,1-2H3
InChIKeyFLRYSKYTJLATEK-UHFFFAOYSA-N
MW348.22 g/mol
LogP4.95
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine

1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105047461) has the molecular formula C17H15BrFNO and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105047461
Molecular FormulaC17H15BrFNO
Molecular Weight348.22 g/mol
Exact Mass347.03
IUPAC Name1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(F)c2o1)c1ccc(C)cc1Br
InChIInChI=1S/C17H15BrFNO/c1-10-6-7-12(13(18)8-10)16(20-2)15-9-11-4-3-5-14(19)17(11)21-15/h3-9,16,20H,1-2H3
InChIKeyFLRYSKYTJLATEK-UHFFFAOYSA-N
XLogP4.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 114728621
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methylfuran-2-yl)methanamine
CID 114730983
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(5-ethylfuran-2-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047584
[(7-fluoro-1-benzofuran-2-yl)-(3-methylphenyl)methyl]hydrazine
CID 105200864
1-(7-fluoro-1-benzofuran-2-yl)-N-methyl-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105186439
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
(2,4-dibromophenyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107947837
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105047461) is 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cccc(F)c2o1)c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is FLRYSKYTJLATEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFNO/c1-10-6-7-12(13(18)8-10)16(20-2)15-9-11-4-3-5-14(19)17(11)21-15/h3-9,16,20H,1-2H3.
What are the key properties of 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 348.22 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105047461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).