1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

C16H15Br2NO — CID 107946952

IUPAC1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C16H15Br2NO/c1-19-15(12-6-5-11(17)9-14(12)18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,19H,7-8H2,1H3
InChIKeySCZKALVBICSQSC-UHFFFAOYSA-N
MW397.11 g/mol
LogP4.46
Rot. Bonds3

About 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine

1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 107946952) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID107946952
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccc(Br)cc1Br)c1cccc2c1OCC2
InChIInChI=1S/C16H15Br2NO/c1-19-15(12-6-5-11(17)9-14(12)18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,19H,7-8H2,1H3
InChIKeySCZKALVBICSQSC-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.11
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
[(4-bromo-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105281085
[(2-bromo-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-7-yl)methyl]hydrazine
CID 105341826
4-bromo-2-[2,3-dihydro-1-benzofuran-7-yl(hydrazinyl)methyl]aniline
CID 105263658
1-(2-bromo-5-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049062
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-pyrimidin-2-ylmethanamine
CID 114745069
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 114745874
1-(4-bromothiophen-2-yl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745408

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 107946952) is 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is CNC(c1ccc(Br)cc1Br)c1cccc2c1OCC2.
What is the InChIKey of 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is SCZKALVBICSQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-19-15(12-6-5-11(17)9-14(12)18)13-4-2-3-10-7-8-20-16(10)13/h2-6,9,15,19H,7-8H2,1H3.
What are the key properties of 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 397.11 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 107946952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).