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

C15H12F2N2 — CID 18785905

IUPAC5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2c(F)cccc21
InChIInChI=1S/C15H12F2N2/c16-10-6-4-9(5-7-10)14-8-12-11(15(18)19-14)2-1-3-13(12)17/h1-7,14H,8H2,(H2,18,19)
InChIKeyKEASVJPWDYZLCE-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds1

About 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine

5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785905) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785905
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2c(F)cccc21
InChIInChI=1S/C15H12F2N2/c16-10-6-4-9(5-7-10)14-8-12-11(15(18)19-14)2-1-3-13(12)17/h1-7,14H,8H2,(H2,18,19)
InChIKeyKEASVJPWDYZLCE-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 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (CID 18785905) is 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccc(F)cc2)Cc2c(F)cccc21.
What is the InChIKey of 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is KEASVJPWDYZLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-10-6-4-9(5-7-10)14-8-12-11(15(18)19-14)2-1-3-13(12)17/h1-7,14H,8H2,(H2,18,19).
What are the key properties of 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
5-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 5-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).