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

C15H13BrFNO — CID 104947434

IUPAC(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(F)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13BrFNO/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyKVAUZVLVXOBNRM-AFYYWNPRSA-N
MW322.18 g/mol
LogP4.11
Rot. Bonds1

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

(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (PubChem CID 104947434) has the molecular formula C15H13BrFNO and a molecular weight of 322.18 g/mol. Its IUPAC name is (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.

Molecular Properties

Compound Name(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
PubChem CID104947434
Molecular FormulaC15H13BrFNO
Molecular Weight322.18 g/mol
Exact Mass321.02
IUPAC Name(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
SMILESN[C@@H]1CC(c2ccc(F)cc2)Oc2ccc(Br)cc21
InChIInChI=1S/C15H13BrFNO/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-7,13,15H,8,18H2/t13-,15?/m1/s1
InChIKeyKVAUZVLVXOBNRM-AFYYWNPRSA-N
XLogP4.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.18
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4S)-6-bromo-2-(4-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947173
6-bromo-2-(3,5-difluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 106534741
(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
(4R)-6-bromo-2-(3-fluoro-4-methylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947352
(4R)-6-bromo-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947442
3-[(4R)-4-amino-6-bromo-3,4-dihydro-2H-chromen-2-yl]-5-fluorophenol
CID 104947542
4-[(4S)-4-amino-6-fluoro-3,4-dihydro-2H-chromen-2-yl]phenol
CID 104944205
(4R)-6-fluoro-2-(4-methylsulfanylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104944427
6-fluoro-2-(4-propan-2-ylphenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708524
(4R)-6-bromo-2-(2-bromophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 104947405
(4R)-2-(3,4-dimethylphenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 104944378

Frequently Asked Questions

What is the IUPAC name of (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The IUPAC name of (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine (CID 104947434) is (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine.
What is the SMILES notation for (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The canonical SMILES for (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is N[C@@H]1CC(c2ccc(F)cc2)Oc2ccc(Br)cc21.
What is the InChIKey of (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
The InChIKey is KVAUZVLVXOBNRM-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H13BrFNO/c16-10-3-6-14-12(7-10)13(18)8-15(19-14)9-1-4-11(17)5-2-9/h1-7,13,15H,8,18H2/t13-,15?/m1/s1.
What are the key properties of (4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine?
(4R)-6-bromo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine has a molecular weight of 322.18 g/mol, XLogP of 4.11, 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-(4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine is sourced from PubChem (CID 104947434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).