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

C16H16BrNO — CID 114745158

IUPAC1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1cccc2c1OCC2
InChIInChI=1S/C16H16BrNO/c1-18-15(12-6-2-3-8-14(12)17)13-7-4-5-11-9-10-19-16(11)13/h2-8,15,18H,9-10H2,1H3
InChIKeyQZRRWPKSRHCSSP-UHFFFAOYSA-N
MW318.21 g/mol
LogP3.69
Rot. Bonds3

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

1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (PubChem CID 114745158) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
PubChem CID114745158
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
SMILESCNC(c1ccccc1Br)c1cccc2c1OCC2
InChIInChI=1S/C16H16BrNO/c1-18-15(12-6-2-3-8-14(12)17)13-7-4-5-11-9-10-19-16(11)13/h2-8,15,18H,9-10H2,1H3
InChIKeyQZRRWPKSRHCSSP-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromophenyl)-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-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2,4-dibromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 107946952
1-(2-bromo-3-fluorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053193
1-(4-bromo-2-methylphenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053222
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745282
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
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
1-(2-bromo-4-fluorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 105049275
1-(2-chlorophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylmethanamine
CID 114745209
4-[2,3-dihydro-1-benzofuran-7-yl(methylamino)methyl]-N,N-dimethylaniline
CID 105189461

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The IUPAC name of 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine (CID 114745158) is 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The canonical SMILES for 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is CNC(c1ccccc1Br)c1cccc2c1OCC2.
What is the InChIKey of 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
The InChIKey is QZRRWPKSRHCSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-18-15(12-6-2-3-8-14(12)17)13-7-4-5-11-9-10-19-16(11)13/h2-8,15,18H,9-10H2,1H3.
What are the key properties of 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine?
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine has a molecular weight of 318.21 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine is sourced from PubChem (CID 114745158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).