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

C15H13ClF2N2 — CID 18785862

IUPAC6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C15H12F2N2.ClH/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);1H
InChIKeyJRCSRFWPIBHIJV-UHFFFAOYSA-N
MW294.73 g/mol
LogP3.39
Rot. Bonds1

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

6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride (PubChem CID 18785862) has the molecular formula C15H13ClF2N2 and a molecular weight of 294.73 g/mol. Its IUPAC name is 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
PubChem CID18785862
Molecular FormulaC15H13ClF2N2
Molecular Weight294.73 g/mol
Exact Mass294.07
IUPAC Name6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21
InChIInChI=1S/C15H12F2N2.ClH/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);1H
InChIKeyJRCSRFWPIBHIJV-UHFFFAOYSA-N
XLogP3.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.73
LogP ≤ 53.39
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;hydrochloride?
The IUPAC name of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride (CID 18785862) is 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride is Cl.NC1=NC(c2ccc(F)cc2)Cc2cc(F)ccc21.
What is the InChIKey of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The InChIKey is JRCSRFWPIBHIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2.ClH/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);1H.
What are the key properties of 6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride?
6-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine;hydrochloride has a molecular weight of 294.73 g/mol, XLogP of 3.39, 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;hydrochloride is sourced from PubChem (CID 18785862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).