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

C15H12BrClFNO — CID 104947442

IUPAC(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrClFNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2/t13-,15?/m1/s1
InChIKeyDKQLXLVCNYXXRB-AFYYWNPRSA-N
MW356.62 g/mol
LogP4.77
Rot. Bonds1

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

(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947442) has the molecular formula C15H12BrClFNO and a molecular weight of 356.62 g/mol. Its IUPAC name is (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947442
Molecular FormulaC15H12BrClFNO
Molecular Weight356.62 g/mol
Exact Mass354.98
IUPAC Name(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H12BrClFNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2/t13-,15?/m1/s1
InChIKeyDKQLXLVCNYXXRB-AFYYWNPRSA-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

6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947434
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 114708908
(4R)-2-(3-bromo-4-fluorophenyl)-6-chloro-3,4-dihydro-2H-chromen-4-amine
CID 104944930
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
6-bromo-2-(2-bromo-5-chlorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114709986
(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
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947442) is (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccc(F)c(Cl)c2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is DKQLXLVCNYXXRB-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H12BrClFNO/c16-9-2-4-14-10(6-9)13(19)7-15(20-14)8-1-3-12(18)11(17)5-8/h1-6,13,15H,7,19H2/t13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-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 (4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).