1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine

C15H13BrClNOS — CID 105048423

IUPAC1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H13BrClNOS/c1-8-6-12(20-15(8)16)13(18-2)11-7-9-4-3-5-10(17)14(9)19-11/h3-7,13,18H,1-2H3
InChIKeyAAAQACAFYAMNLP-UHFFFAOYSA-N
MW370.70 g/mol
LogP5.53
Rot. Bonds3

About 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine

1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105048423) has the molecular formula C15H13BrClNOS and a molecular weight of 370.70 g/mol. Its IUPAC name is 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105048423
Molecular FormulaC15H13BrClNOS
Molecular Weight370.70 g/mol
Exact Mass368.96
IUPAC Name1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1cc2cccc(Cl)c2o1)c1cc(C)c(Br)s1
InChIInChI=1S/C15H13BrClNOS/c1-8-6-12(20-15(8)16)13(18-2)11-7-9-4-3-5-10(17)14(9)19-11/h3-7,13,18H,1-2H3
InChIKeyAAAQACAFYAMNLP-UHFFFAOYSA-N
XLogP5.53
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.70
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine with MolForge

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Related Compounds

1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
1-(7-chloro-1-benzofuran-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 105048549
1-(7-chloro-1-benzofuran-2-yl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105048530
1-(7-chloro-1-benzofuran-2-yl)-1-(3-chlorothiophen-2-yl)-N-methylmethanamine
CID 105048424
1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107986198
1-(7-chloro-1-benzofuran-2-yl)-1-(2-chloro-3-fluorophenyl)-N-methylmethanamine
CID 105048406
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 114730954
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 114729070

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105048423) is 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1cc2cccc(Cl)c2o1)c1cc(C)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is AAAQACAFYAMNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNOS/c1-8-6-12(20-15(8)16)13(18-2)11-7-9-4-3-5-10(17)14(9)19-11/h3-7,13,18H,1-2H3.
What are the key properties of 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 370.70 g/mol, XLogP of 5.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105048423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).