5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride

C15H14ClFN2 — CID 18785927

IUPAC5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)Cc2c(F)cccc21
InChIInChI=1S/C15H13FN2.ClH/c16-13-8-4-7-11-12(13)9-14(18-15(11)17)10-5-2-1-3-6-10;/h1-8,14H,9H2,(H2,17,18);1H
InChIKeyYAEMVJAUQOINFD-UHFFFAOYSA-N
MW276.74 g/mol
LogP3.25
Rot. Bonds1

About 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride

5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride (PubChem CID 18785927) has the molecular formula C15H14ClFN2 and a molecular weight of 276.74 g/mol. Its IUPAC name is 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride.

Molecular Properties

Compound Name5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride
PubChem CID18785927
Molecular FormulaC15H14ClFN2
Molecular Weight276.74 g/mol
Exact Mass276.08
IUPAC Name5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride
SMILESCl.NC1=NC(c2ccccc2)Cc2c(F)cccc21
InChIInChI=1S/C15H13FN2.ClH/c16-13-8-4-7-11-12(13)9-14(18-15(11)17)10-5-2-1-3-6-10;/h1-8,14H,9H2,(H2,17,18);1H
InChIKeyYAEMVJAUQOINFD-UHFFFAOYSA-N
XLogP3.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The IUPAC name of 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride (CID 18785927) is 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride.
What is the SMILES notation for 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The canonical SMILES for 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride is Cl.NC1=NC(c2ccccc2)Cc2c(F)cccc21.
What is the InChIKey of 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
The InChIKey is YAEMVJAUQOINFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2.ClH/c16-13-8-4-7-11-12(13)9-14(18-15(11)17)10-5-2-1-3-6-10;/h1-8,14H,9H2,(H2,17,18);1H.
What are the key properties of 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride?
5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride has a molecular weight of 276.74 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-phenyl-3,4-dihydroisoquinolin-1-amine;hydrochloride is sourced from PubChem (CID 18785927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).