1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine

C16H13BrFNO — CID 106645563

IUPAC1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cccc(Br)c1F
InChIInChI=1S/C16H13BrFNO/c1-19-16(11-6-4-7-12(17)15(11)18)14-9-10-5-2-3-8-13(10)20-14/h2-9,16,19H,1H3
InChIKeyWIHFUBOBXRHKAY-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.64
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine

1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (PubChem CID 106645563) has the molecular formula C16H13BrFNO and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
PubChem CID106645563
Molecular FormulaC16H13BrFNO
Molecular Weight334.19 g/mol
Exact Mass333.02
IUPAC Name1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine
SMILESCNC(c1cc2ccccc2o1)c1cccc(Br)c1F
InChIInChI=1S/C16H13BrFNO/c1-19-16(11-6-4-7-12(17)15(11)18)14-9-10-5-2-3-8-13(10)20-14/h2-9,16,19H,1H3
InChIKeyWIHFUBOBXRHKAY-UHFFFAOYSA-N
XLogP4.64
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2-fluorophenyl)-1-(5-chloro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107953734
1-(1-benzofuran-2-yl)-1-(2-bromo-3,4-difluorophenyl)-N-methylmethanamine
CID 107539018
1-(3-bromo-2-fluorophenyl)-N-methyl-1-naphthalen-2-ylmethanamine
CID 106645505
1-(1-benzofuran-2-yl)-1-(2,5-difluorophenyl)-N-methylmethanamine
CID 63089727
1-(1-benzofuran-2-yl)-1-(3-chloro-2-methylphenyl)-N-methylmethanamine
CID 107103108
[1-benzofuran-2-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105218365
1-(1-benzofuran-2-yl)-1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 105044001
1-(3-bromo-2-fluorophenyl)-1-(2-bromofuran-3-yl)-N-methylmethanamine
CID 106858995
1-(2-bromo-3-methylphenyl)-1-(5-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 107985443
1-(1-benzofuran-2-yl)-1-(2-methoxy-5-methylphenyl)-N-methylmethanamine
CID 63089905
1-(5-chloro-1-benzofuran-2-yl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114728517
1-(1-benzofuran-2-yl)-1-(4-bromo-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 114651287

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine (CID 106645563) is 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is CNC(c1cc2ccccc2o1)c1cccc(Br)c1F.
What is the InChIKey of 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
The InChIKey is WIHFUBOBXRHKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO/c1-19-16(11-6-4-7-12(17)15(11)18)14-9-10-5-2-3-8-13(10)20-14/h2-9,16,19H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine?
1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine has a molecular weight of 334.19 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-1-(3-bromo-2-fluorophenyl)-N-methylmethanamine is sourced from PubChem (CID 106645563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).