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

C17H18BrNO — CID 114745282

IUPAC2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1cccc2c1OCC2
InChIInChI=1S/C17H18BrNO/c1-19-16(11-13-5-2-3-8-15(13)18)14-7-4-6-12-9-10-20-17(12)14/h2-8,16,19H,9-11H2,1H3
InChIKeyINVVKGLFQZBVJT-UHFFFAOYSA-N
MW332.24 g/mol
LogP3.89
Rot. Bonds4

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

2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (PubChem CID 114745282) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
PubChem CID114745282
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
SMILESCNC(Cc1ccccc1Br)c1cccc2c1OCC2
InChIInChI=1S/C17H18BrNO/c1-19-16(11-13-5-2-3-8-15(13)18)14-7-4-6-12-9-10-20-17(12)14/h2-8,16,19H,9-11H2,1H3
InChIKeyINVVKGLFQZBVJT-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745177
2-(2-bromophenyl)sulfanyl-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine
CID 114745652
1-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 114745158
[1-(2,3-dihydro-1-benzofuran-7-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105208501
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-phenylsulfanylethanamine
CID 114745502
2-(4-bromophenyl)-1-(3,4-dihydro-2H-chromen-8-yl)-N-methylethanamine
CID 114744945
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylpentan-1-amine
CID 114745766
1-(3-bromo-2-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylmethanamine
CID 105053440
1-(2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105189342
2-(2-bromophenyl)-N-methyl-1-phenylethanamine
CID 60820242
1-(3,4-dihydro-2H-chromen-8-yl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 114745216
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-2-(2-methylphenyl)ethanamine
CID 104545460

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The IUPAC name of 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine (CID 114745282) is 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine.
What is the SMILES notation for 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The canonical SMILES for 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is CNC(Cc1ccccc1Br)c1cccc2c1OCC2.
What is the InChIKey of 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
The InChIKey is INVVKGLFQZBVJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-19-16(11-13-5-2-3-8-15(13)18)14-7-4-6-12-9-10-20-17(12)14/h2-8,16,19H,9-11H2,1H3.
What are the key properties of 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine?
2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine has a molecular weight of 332.24 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-1-(2,3-dihydro-1-benzofuran-7-yl)-N-methylethanamine is sourced from PubChem (CID 114745282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).