1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine

C17H15BrClNO — CID 105048574

IUPAC1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H15BrClNO/c1-10-8-11(6-7-13(10)18)16(20-2)15-9-12-4-3-5-14(19)17(12)21-15/h3-9,16,20H,1-2H3
InChIKeyNGUBMLOXHQAJAY-UHFFFAOYSA-N
MW364.67 g/mol
LogP5.47
Rot. Bonds3

About 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine

1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 105048574) has the molecular formula C17H15BrClNO and a molecular weight of 364.67 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID105048574
Molecular FormulaC17H15BrClNO
Molecular Weight364.67 g/mol
Exact Mass363.00
IUPAC Name1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)c(C)c1)c1cc2cccc(Cl)c2o1
InChIInChI=1S/C17H15BrClNO/c1-10-8-11(6-7-13(10)18)16(20-2)15-9-12-4-3-5-14(19)17(12)21-15/h3-9,16,20H,1-2H3
InChIKeyNGUBMLOXHQAJAY-UHFFFAOYSA-N
XLogP5.47
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.67
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-1-benzofuran-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 114727533
1-(7-chloro-1-benzofuran-2-yl)-1-(4-methoxyphenyl)-N-methylmethanamine
CID 114727492
[(4-bromo-3-methylphenyl)-(7-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105338351
1-(5-bromo-4-methylthiophen-2-yl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048423
1-(7-chloro-1-benzofuran-2-yl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 102923909
[(2-bromo-3-methylphenyl)-(7-chloro-1-benzofuran-2-yl)methyl]hydrazine
CID 107986198
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-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097290
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
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

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine (CID 105048574) is 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1ccc(Br)c(C)c1)c1cc2cccc(Cl)c2o1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is NGUBMLOXHQAJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO/c1-10-8-11(6-7-13(10)18)16(20-2)15-9-12-4-3-5-14(19)17(12)21-15/h3-9,16,20H,1-2H3.
What are the key properties of 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 364.67 g/mol, XLogP of 5.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 105048574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).