6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine

C15H12Br3NO — CID 107597702

IUPAC6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(Nc1c(Br)cccc1Br)CCO2
InChIInChI=1S/C15H12Br3NO/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2
InChIKeyHUGMZFUQYRTBJQ-UHFFFAOYSA-N
MW461.98 g/mol
LogP5.91
Rot. Bonds2

About 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 107597702) has the molecular formula C15H12Br3NO and a molecular weight of 461.98 g/mol. Its IUPAC name is 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID107597702
Molecular FormulaC15H12Br3NO
Molecular Weight461.98 g/mol
Exact Mass458.85
IUPAC Name6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESBrc1ccc2c(c1)C(Nc1c(Br)cccc1Br)CCO2
InChIInChI=1S/C15H12Br3NO/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2
InChIKeyHUGMZFUQYRTBJQ-UHFFFAOYSA-N
XLogP5.91
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.98
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43787895
6-bromo-N-(3-ethynylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43755539
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
N-benzyl-6-bromo-3,4-dihydro-2H-chromen-4-amine
CID 43757033
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
CID 107700924
6-bromo-N-(4-nitrophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43785841

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 107597702) is 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine is Brc1ccc2c(c1)C(Nc1c(Br)cccc1Br)CCO2.
What is the InChIKey of 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is HUGMZFUQYRTBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br3NO/c16-9-4-5-14-10(8-9)13(6-7-20-14)19-15-11(17)2-1-3-12(15)18/h1-5,8,13,19H,6-7H2.
What are the key properties of 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 461.98 g/mol, XLogP of 5.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 107597702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).