1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

C15H14BrNOS — CID 102840358

IUPAC1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1cc2cccc(Br)c2o1)c1ccsc1C
InChIInChI=1S/C15H14BrNOS/c1-9-11(6-7-19-9)14(17-2)13-8-10-4-3-5-12(16)15(10)18-13/h3-8,14,17H,1-2H3
InChIKeyVRPNOBVBVXRUMG-UHFFFAOYSA-N
MW336.25 g/mol
LogP4.87
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine

1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (PubChem CID 102840358) has the molecular formula C15H14BrNOS and a molecular weight of 336.25 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
PubChem CID102840358
Molecular FormulaC15H14BrNOS
Molecular Weight336.25 g/mol
Exact Mass335.00
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
SMILESCNC(c1cc2cccc(Br)c2o1)c1ccsc1C
InChIInChI=1S/C15H14BrNOS/c1-9-11(6-7-19-9)14(17-2)13-8-10-4-3-5-12(16)15(10)18-13/h3-8,14,17H,1-2H3
InChIKeyVRPNOBVBVXRUMG-UHFFFAOYSA-N
XLogP4.87
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 105150403
1-(2-bromofuran-3-yl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 106858731
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656
1-(2,4-dimethylphenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045456

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine (CID 102840358) is 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is CNC(c1cc2cccc(Br)c2o1)c1ccsc1C.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
The InChIKey is VRPNOBVBVXRUMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS/c1-9-11(6-7-19-9)14(17-2)13-8-10-4-3-5-12(16)15(10)18-13/h3-8,14,17H,1-2H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine?
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine has a molecular weight of 336.25 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine is sourced from PubChem (CID 102840358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).