(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

C15H14BrFN2 — CID 59777719

IUPAC(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1C[C@H](c2ccccc2)Nc2c(F)cc(Br)cc21
InChIInChI=1S/C15H14BrFN2/c16-10-6-11-13(18)8-14(9-4-2-1-3-5-9)19-15(11)12(17)7-10/h1-7,13-14,19H,8,18H2/t13?,14-/m1/s1
InChIKeyRQJRMLNJOZJCJH-ARLHGKGLSA-N
MW321.19 g/mol
LogP4.14
Rot. Bonds1

About (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine

(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 59777719) has the molecular formula C15H14BrFN2 and a molecular weight of 321.19 g/mol. Its IUPAC name is (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID59777719
Molecular FormulaC15H14BrFN2
Molecular Weight321.19 g/mol
Exact Mass320.03
IUPAC Name(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine
SMILESNC1C[C@H](c2ccccc2)Nc2c(F)cc(Br)cc21
InChIInChI=1S/C15H14BrFN2/c16-10-6-11-13(18)8-14(9-4-2-1-3-5-9)19-15(11)12(17)7-10/h1-7,13-14,19H,8,18H2/t13?,14-/m1/s1
InChIKeyRQJRMLNJOZJCJH-ARLHGKGLSA-N
XLogP4.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.19
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine (CID 59777719) is (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is NC1C[C@H](c2ccccc2)Nc2c(F)cc(Br)cc21.
What is the InChIKey of (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is RQJRMLNJOZJCJH-ARLHGKGLSA-N. The full InChI is InChI=1S/C15H14BrFN2/c16-10-6-11-13(18)8-14(9-4-2-1-3-5-9)19-15(11)12(17)7-10/h1-7,13-14,19H,8,18H2/t13?,14-/m1/s1.
What are the key properties of (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine?
(2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 321.19 g/mol, XLogP of 4.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-bromo-8-fluoro-2-phenyl-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 59777719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).