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

C15H12BrF2NO — CID 106534741

IUPAC6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(F)cc(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrF2NO/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,13,15H,7,19H2
InChIKeyDZVIHVITOMRDMY-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.25
Rot. Bonds1

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

6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 106534741) has the molecular formula C15H12BrF2NO and a molecular weight of 340.17 g/mol. Its IUPAC name is 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID106534741
Molecular FormulaC15H12BrF2NO
Molecular Weight340.17 g/mol
Exact Mass339.01
IUPAC Name6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2cc(F)cc(F)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrF2NO/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,13,15H,7,19H2
InChIKeyDZVIHVITOMRDMY-UHFFFAOYSA-N
XLogP4.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4R)-6-bromo-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947539
(4S)-6-bromo-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947237
2-(3,5-difluorophenyl)-7-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 106534742
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
(4R)-6-bromo-2-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947501
(4S)-7-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-ol
CID 106534714
6-bromo-2-(4-bromothiophen-3-yl)-3,4-dihydro-2H-chromen-4-amine
CID 112739916

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 106534741) is 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2cc(F)cc(F)c2)Oc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DZVIHVITOMRDMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrF2NO/c16-9-1-2-14-12(5-9)13(19)7-15(20-14)8-3-10(17)6-11(18)4-8/h1-6,13,15H,7,19H2.
What are the key properties of 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 340.17 g/mol, XLogP of 4.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 106534741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).