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

C15H12BrCl2NO — CID 66348775

IUPAC4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H12BrCl2NO/c16-10-6-12(17)15(13(18)7-10)19-8-11-5-9-3-1-2-4-14(9)20-11/h1-4,6-7,11,19H,5,8H2
InChIKeyDZAZLCVNEKJGFC-UHFFFAOYSA-N
MW373.08 g/mol
LogP5.17
Rot. Bonds3

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

4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (PubChem CID 66348775) has the molecular formula C15H12BrCl2NO and a molecular weight of 373.08 g/mol. Its IUPAC name is 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
PubChem CID66348775
Molecular FormulaC15H12BrCl2NO
Molecular Weight373.08 g/mol
Exact Mass370.95
IUPAC Name4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
SMILESClc1cc(Br)cc(Cl)c1NCC1Cc2ccccc2O1
InChIInChI=1S/C15H12BrCl2NO/c16-10-6-12(17)15(13(18)7-10)19-8-11-5-9-3-1-2-4-14(9)20-11/h1-4,6-7,11,19H,5,8H2
InChIKeyDZAZLCVNEKJGFC-UHFFFAOYSA-N
XLogP5.17
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.08
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,6-dimethylaniline
CID 66348583
4-bromo-2,6-dichloro-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]aniline
CID 66365266
1-(4-bromo-2-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)ethanamine
CID 82777884
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methylaniline
CID 66348972
2-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,4-diamine
CID 62232831
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-methylpyridin-2-amine
CID 79718777
N-[(3-bromo-4-chlorophenyl)methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 83230829
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
4-chloro-1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzene-1,2-diamine
CID 62233370
3-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyrazin-2-amine
CID 62234283
6-chloro-4-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]pyrimidine-2,4-diamine
CID 32877213

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline (CID 66348775) is 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is Clc1cc(Br)cc(Cl)c1NCC1Cc2ccccc2O1.
What is the InChIKey of 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
The InChIKey is DZAZLCVNEKJGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO/c16-10-6-12(17)15(13(18)7-10)19-8-11-5-9-3-1-2-4-14(9)20-11/h1-4,6-7,11,19H,5,8H2.
What are the key properties of 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline?
4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline has a molecular weight of 373.08 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dichloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline is sourced from PubChem (CID 66348775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).