(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine

C15H12Br3NO2 — CID 107950268

IUPAC(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12Br3NO2/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7,15H,3-4,19H2
InChIKeyDCUHIDYIRUYSPC-UHFFFAOYSA-N
MW477.98 g/mol
LogP4.79
Rot. Bonds2

About (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine (PubChem CID 107950268) has the molecular formula C15H12Br3NO2 and a molecular weight of 477.98 g/mol. Its IUPAC name is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
PubChem CID107950268
Molecular FormulaC15H12Br3NO2
Molecular Weight477.98 g/mol
Exact Mass474.84
IUPAC Name(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H12Br3NO2/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7,15H,3-4,19H2
InChIKeyDCUHIDYIRUYSPC-UHFFFAOYSA-N
XLogP4.79
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.98
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,6-difluorophenyl)methanamine
CID 43152734
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-bromo-5-fluorophenyl)methanamine
CID 43248371
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(5-chlorofuran-2-yl)methanamine
CID 106684047
(7-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-(2-methylfuran-3-yl)methanamine
CID 43464699
(4-bromo-2-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43629713
(4-bromo-2-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanamine
CID 43186704
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylfuran-3-yl)methanamine
CID 114819851
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(3-chloro-4-fluorophenyl)methanamine
CID 82873587
(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)propan-1-amine
CID 43131945
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
CID 107946337
(2,4-dibromophenyl)-(3,4-dihydro-2H-pyran-5-yl)methanamine
CID 107946680

Frequently Asked Questions

What is the IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine (CID 107950268) is (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine is NC(c1ccc(Br)cc1Br)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine?
The InChIKey is DCUHIDYIRUYSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NO2/c16-8-1-2-9(11(17)5-8)15(19)10-6-13-14(7-12(10)18)21-4-3-20-13/h1-2,5-7,15H,3-4,19H2.
What are the key properties of (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine?
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine has a molecular weight of 477.98 g/mol, XLogP of 4.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107950268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).