6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

C16H15Br2NO — CID 43787895

IUPAC6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H15Br2NO/c1-10-2-3-12(18)9-15(10)19-14-6-7-20-16-5-4-11(17)8-13(14)16/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeyQPLCIFSWHUSVRX-UHFFFAOYSA-N
MW397.11 g/mol
LogP5.46
Rot. Bonds2

About 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine

6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 43787895) has the molecular formula C16H15Br2NO and a molecular weight of 397.11 g/mol. Its IUPAC name is 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID43787895
Molecular FormulaC16H15Br2NO
Molecular Weight397.11 g/mol
Exact Mass394.95
IUPAC Name6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESCc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21
InChIInChI=1S/C16H15Br2NO/c1-10-2-3-12(18)9-15(10)19-14-6-7-20-16-5-4-11(17)8-13(14)16/h2-5,8-9,14,19H,6-7H2,1H3
InChIKeyQPLCIFSWHUSVRX-UHFFFAOYSA-N
XLogP5.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.11
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-N-(2,5-dimethylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43765929
6-bromo-N-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 43777607
6-bromo-N-(4-methoxy-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 62871864
5-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-2-methylphenol
CID 107700924
N-(2,5-dibromophenyl)-6-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 43789312
6-bromo-N-(2,6-dibromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 107597702
6-bromo-N-propyl-3,4-dihydro-2H-chromen-4-amine
CID 43512617
N-(6-bromo-3,4-dihydro-2H-chromen-4-yl)-2,5-dimethylpyrrol-1-amine
CID 79090045
(6-bromo-3,4-dihydro-2H-chromen-4-yl)carbamic acid
CID 18448605
6-bromo-N-(2,6-dichloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 83078339
6-bromo-N-tert-butylsulfanyl-3,4-dihydro-2H-chromen-4-amine
CID 166094073
6-bromo-N-[(E)-pent-3-enyl]-3,4-dihydro-2H-chromen-4-amine
CID 115890026

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine (CID 43787895) is 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is Cc1ccc(Br)cc1NC1CCOc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is QPLCIFSWHUSVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2NO/c1-10-2-3-12(18)9-15(10)19-14-6-7-20-16-5-4-11(17)8-13(14)16/h2-5,8-9,14,19H,6-7H2,1H3.
What are the key properties of 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 397.11 g/mol, XLogP of 5.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(5-bromo-2-methylphenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 43787895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).