4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline

C17H18BrNO — CID 66348583

IUPAC4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1Cc2ccccc2O1
InChIInChI=1S/C17H18BrNO/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15,19H,9-10H2,1-2H3
InChIKeyAUOUNXYIDVIKEB-UHFFFAOYSA-N
MW332.24 g/mol
LogP4.48
Rot. Bonds3

About 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline

4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline (PubChem CID 66348583) has the molecular formula C17H18BrNO and a molecular weight of 332.24 g/mol. Its IUPAC name is 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
PubChem CID66348583
Molecular FormulaC17H18BrNO
Molecular Weight332.24 g/mol
Exact Mass331.06
IUPAC Name4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
SMILESCc1cc(Br)cc(C)c1NCC1Cc2ccccc2O1
InChIInChI=1S/C17H18BrNO/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15,19H,9-10H2,1-2H3
InChIKeyAUOUNXYIDVIKEB-UHFFFAOYSA-N
XLogP4.48
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline?
The IUPAC name of 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline (CID 66348583) is 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline.
What is the SMILES notation for 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline?
The canonical SMILES for 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline is Cc1cc(Br)cc(C)c1NCC1Cc2ccccc2O1.
What is the InChIKey of 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline?
The InChIKey is AUOUNXYIDVIKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO/c1-11-7-14(18)8-12(2)17(11)19-10-15-9-13-5-3-4-6-16(13)20-15/h3-8,15,19H,9-10H2,1-2H3.
What are the key properties of 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline?
4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline has a molecular weight of 332.24 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline is sourced from PubChem (CID 66348583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).