5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline

C16H16BrNO — CID 66348972

IUPAC5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
SMILESCc1ccc(Br)cc1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H16BrNO/c1-11-6-7-13(17)9-15(11)18-10-14-8-12-4-2-3-5-16(12)19-14/h2-7,9,14,18H,8,10H2,1H3
InChIKeyIDWMAVOYJYWJMB-UHFFFAOYSA-N
MW318.21 g/mol
LogP4.17
Rot. Bonds3

About 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline

5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline (PubChem CID 66348972) has the molecular formula C16H16BrNO and a molecular weight of 318.21 g/mol. Its IUPAC name is 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline.

Molecular Properties

Compound Name5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
PubChem CID66348972
Molecular FormulaC16H16BrNO
Molecular Weight318.21 g/mol
Exact Mass317.04
IUPAC Name5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
SMILESCc1ccc(Br)cc1NCC1Cc2ccccc2O1
InChIInChI=1S/C16H16BrNO/c1-11-6-7-13(17)9-15(11)18-10-14-8-12-4-2-3-5-16(12)19-14/h2-7,9,14,18H,8,10H2,1H3
InChIKeyIDWMAVOYJYWJMB-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 114907271
4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
CID 66348583
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66348775
4-bromo-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66365455
N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-ethoxyaniline
CID 66393336
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
1-(3-bromophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 61003691
1-(4-bromo-2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 82777884
2-(chloromethyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 66365211
2,6-dibromo-N-[(5-bromo-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-methylaniline
CID 66393732
N-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]-2-methylaniline
CID 66393539

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline?
The IUPAC name of 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline (CID 66348972) is 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline.
What is the SMILES notation for 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline?
The canonical SMILES for 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline is Cc1ccc(Br)cc1NCC1Cc2ccccc2O1.
What is the InChIKey of 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline?
The InChIKey is IDWMAVOYJYWJMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNO/c1-11-6-7-13(17)9-15(11)18-10-14-8-12-4-2-3-5-16(12)19-14/h2-7,9,14,18H,8,10H2,1H3.
What are the key properties of 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline?
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline has a molecular weight of 318.21 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline is sourced from PubChem (CID 66348972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).