1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

C18H18BrNO — CID 105097290

IUPAC1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H18BrNO/c1-11-7-12(2)9-14(8-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3
InChIKeyCZXXELXLGHQIQV-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.12
Rot. Bonds3

About 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine

1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (PubChem CID 105097290) has the molecular formula C18H18BrNO and a molecular weight of 344.25 g/mol. Its IUPAC name is 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
PubChem CID105097290
Molecular FormulaC18H18BrNO
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
SMILESCNC(c1cc(C)cc(C)c1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C18H18BrNO/c1-11-7-12(2)9-14(8-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3
InChIKeyCZXXELXLGHQIQV-UHFFFAOYSA-N
XLogP5.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-bromo-1-benzofuran-2-yl)-1-(furan-2-yl)-N-methylmethanamine
CID 105147059
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(5-methylthiophen-2-yl)methanamine
CID 105162184
1-(7-bromo-1-benzofuran-2-yl)-N-methyl-1-(2-methylthiophen-3-yl)methanamine
CID 102840358
1-(7-bromo-1-benzofuran-2-yl)-1-(5-fluoro-2-methylphenyl)-N-methylmethanamine
CID 105142543
1-(7-bromo-1-benzofuran-2-yl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 105109370
1-(4-bromo-3-methylphenyl)-1-(7-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105048574
1-(7-bromo-1-benzofuran-2-yl)-2-(3,5-dimethylphenyl)ethanol
CID 105079611
[(7-chloro-1-benzofuran-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105339711
1-(7-bromo-1-benzofuran-2-yl)-N-methylbutan-1-amine
CID 65438862
1-(2-bromo-4-methylphenyl)-1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 105047461
1-(4-iodophenyl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105045524
1-(7-bromo-1-benzofuran-2-yl)-N-methylbut-3-en-1-amine
CID 105108656

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine (CID 105097290) is 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is CNC(c1cc(C)cc(C)c1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
The InChIKey is CZXXELXLGHQIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrNO/c1-11-7-12(2)9-14(8-11)17(20-3)16-10-13-5-4-6-15(19)18(13)21-16/h4-10,17,20H,1-3H3.
What are the key properties of 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine?
1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine has a molecular weight of 344.25 g/mol, XLogP of 5.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzofuran-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine is sourced from PubChem (CID 105097290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).