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

C15H12F2N2 — CID 10445220

IUPAC8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cccc(F)c21
InChIInChI=1S/C15H12F2N2/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13H,8H2,(H2,18,19)
InChIKeyLCRLDHTZCMPEPS-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.97
Rot. Bonds1

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

8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 10445220) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID10445220
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2ccc(F)cc2)Cc2cccc(F)c21
InChIInChI=1S/C15H12F2N2/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13H,8H2,(H2,18,19)
InChIKeyLCRLDHTZCMPEPS-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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Related Compounds

3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
8-Fluoro-3-phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9873870
(E)-3-phenyl-N'-[[2-(trifluoromethyl)phenyl]methyl]prop-2-enimidamide
CID 9901060
(E)-N'-benzyl-3-(4-fluorophenyl)prop-2-enimidamide
CID 9921317
(E)-N'-benzyl-3-(3,4-difluorophenyl)prop-2-enimidamide
CID 9943403
N-Phenethyl-benzamidine
CID 12511926
3-Ethynyl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785825
N-benzyl-4-(trifluoromethyl)benzene-1-carboximidamide
CID 44374892
3-Phenyl-3,4-dihydro-isoquinolin-1-ylamine
CID 9795129
3-Cyclopropyl-3,4-dihydro-isoquinolin-1-ylamine
CID 10977064
3-Methyl-3,4-dihydro-isoquinolin-1-ylamine
CID 11744927
6-Fluoro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 18785788

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (CID 10445220) is 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2ccc(F)cc2)Cc2cccc(F)c21.
What is the InChIKey of 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is LCRLDHTZCMPEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-11-6-4-9(5-7-11)13-8-10-2-1-3-12(17)14(10)15(18)19-13/h1-7,13H,8H2,(H2,18,19).
What are the key properties of 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
8-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 8-fluoro-3-(4-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 10445220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).