6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine

C15H12F2N2 — CID 18785788

IUPAC6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C15H12F2N2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15(18)19-14/h1-7,14H,8H2,(H2,18,19)
InChIKeyPZUJYUAPVWDTTH-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds1

About 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine

6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785788) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785788
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C15H12F2N2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15(18)19-14/h1-7,14H,8H2,(H2,18,19)
InChIKeyPZUJYUAPVWDTTH-UHFFFAOYSA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (CID 18785788) is 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is PZUJYUAPVWDTTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-11-3-1-9(2-4-11)14-8-10-7-12(17)5-6-13(10)15(18)19-14/h1-7,14H,8H2,(H2,18,19).
What are the key properties of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 258.27 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).