8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine

C15H12ClFN2 — CID 18785885

IUPAC8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cccc(Cl)c21
InChIInChI=1S/C15H12ClFN2/c16-12-3-1-2-10-8-13(19-15(18)14(10)12)9-4-6-11(17)7-5-9/h1-7,13H,8H2,(H2,18,19)
InChIKeyMIUMJBLHBWQZPJ-UHFFFAOYSA-N
MW274.73 g/mol
LogP3.48
Rot. Bonds1

About 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine

8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785885) has the molecular formula C15H12ClFN2 and a molecular weight of 274.73 g/mol. Its IUPAC name is 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785885
Molecular FormulaC15H12ClFN2
Molecular Weight274.73 g/mol
Exact Mass274.07
IUPAC Name8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cccc(Cl)c21
InChIInChI=1S/C15H12ClFN2/c16-12-3-1-2-10-8-13(19-15(18)14(10)12)9-4-6-11(17)7-5-9/h1-7,13H,8H2,(H2,18,19)
InChIKeyMIUMJBLHBWQZPJ-UHFFFAOYSA-N
XLogP3.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (CID 18785885) is 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccc(F)cc2)Cc2cccc(Cl)c21.
What is the InChIKey of 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is MIUMJBLHBWQZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN2/c16-12-3-1-2-10-8-13(19-15(18)14(10)12)9-4-6-11(17)7-5-9/h1-7,13H,8H2,(H2,18,19).
What are the key properties of 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 274.73 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).