2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine

C15H12BrClFNO — CID 114708908

IUPAC2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12BrClFNO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2
InChIKeyXREIGIACRQLXDK-UHFFFAOYSA-N
MW356.62 g/mol
LogP4.77
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine

2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine (PubChem CID 114708908) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
PubChem CID114708908
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
SMILESNC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C15H12BrClFNO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2
InChIKeyXREIGIACRQLXDK-UHFFFAOYSA-N
XLogP4.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.62
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
2-(4-bromo-3-methylphenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708916
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-ol
CID 114714436
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
(4S)-6-chloro-2-(4-cyclopropylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104945331
(4R)-6-chloro-2-(4-chloro-2-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104980323
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
6-chloro-2-[4-(difluoromethyl)phenyl]-3,4-dihydro-2H-chromen-4-amine
CID 114709061
(4R)-2-(3-bromo-4-fluorophenyl)-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 104944739
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
2-(4-bromo-3-fluorophenyl)-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 114709782

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine (CID 114708908) is 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine is NC1CC(c2ccc(F)c(Br)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is XREIGIACRQLXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-11-5-8(1-3-12(11)18)15-7-13(19)10-6-9(17)2-4-14(10)20-15/h1-6,13,15H,7,19H2.
What are the key properties of 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine?
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 356.62 g/mol, XLogP of 4.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 114708908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).