1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

C16H15BrFNO — CID 79746928

IUPAC1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H15BrFNO/c1-19-16(11-6-7-13(18)12(17)8-11)15-9-10-4-2-3-5-14(10)20-15/h2-8,15-16,19H,9H2,1H3
InChIKeyVRIXVNVMDXLDFG-UHFFFAOYSA-N
MW336.20 g/mol
LogP3.85
Rot. Bonds3

About 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine

1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (PubChem CID 79746928) has the molecular formula C16H15BrFNO and a molecular weight of 336.20 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
PubChem CID79746928
Molecular FormulaC16H15BrFNO
Molecular Weight336.20 g/mol
Exact Mass335.03
IUPAC Name1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
SMILESCNC(c1ccc(F)c(Br)c1)C1Cc2ccccc2O1
InChIInChI=1S/C16H15BrFNO/c1-19-16(11-6-7-13(18)12(17)8-11)15-9-10-4-2-3-5-14(10)20-15/h2-8,15-16,19H,9H2,1H3
InChIKeyVRIXVNVMDXLDFG-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.20
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine
CID 43481050
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 43625337
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483195
1-(3-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 79723538
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(4-propylphenyl)methanamine
CID 43484908
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485900
1-(2,3-dihydro-1-benzofuran-2-yl)-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102652111
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 79747393
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-bromo-4-fluorophenyl)-N-methylethanamine
CID 82809564
[(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1-benzofuran-2-yl)methyl]hydrazine
CID 105262887
1-(3-bromo-4-fluorophenyl)-1-(2-bromophenyl)-N-methylmethanamine
CID 79746439
1-(2,3-dihydro-1H-inden-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 65410726

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine (CID 79746928) is 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is CNC(c1ccc(F)c(Br)c1)C1Cc2ccccc2O1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
The InChIKey is VRIXVNVMDXLDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFNO/c1-19-16(11-6-7-13(18)12(17)8-11)15-9-10-4-2-3-5-14(10)20-15/h2-8,15-16,19H,9H2,1H3.
What are the key properties of 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine?
1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine has a molecular weight of 336.20 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-2-yl)-N-methylmethanamine is sourced from PubChem (CID 79746928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).