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

C15H13FN2 — CID 18785936

IUPAC3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2cccc(F)c2)Cc2ccccc21
InChIInChI=1S/C15H13FN2/c16-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13(10)15(17)18-14/h1-8,14H,9H2,(H2,17,18)
InChIKeyKLWZVSPGLUAFIN-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.83
Rot. Bonds1

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

3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (PubChem CID 18785936) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
PubChem CID18785936
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine
SMILESNC1=NC(c2cccc(F)c2)Cc2ccccc21
InChIInChI=1S/C15H13FN2/c16-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13(10)15(17)18-14/h1-8,14H,9H2,(H2,17,18)
InChIKeyKLWZVSPGLUAFIN-UHFFFAOYSA-N
XLogP2.83
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-1H-isoindole hydrochloride
CID 2795203
3,4-Dihydro-isoquinolin-1-ylamine
CID 9793824
1H-isoindol-3-amine
CID 427859
N-(3,3-Dimethyl-3,4-dihydro-2H-isoquinolin-1-ylidene)-N'-(3-fluoro-benzylidene)-hydrazine
CID 9586274
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
8-Fluoro-3-(4-fluoro-phenyl)-3,4-dihydro-isoquinolin-1-ylamine
CID 10445220
N-Phenethyl-benzamidine
CID 12511926
3-Ethynyl-3,4-dihydro-isoquinolin-1-ylamine
CID 18785825
Benzamidine, N-benzyl-, hydrochloride
CID 200368
[1,1'-Biphenyl]-2-carboximidamide
CID 3683769

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The IUPAC name of 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine (CID 18785936) is 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine.
What is the SMILES notation for 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The canonical SMILES for 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is NC1=NC(c2cccc(F)c2)Cc2ccccc21.
What is the InChIKey of 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
The InChIKey is KLWZVSPGLUAFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c16-12-6-3-5-11(8-12)14-9-10-4-1-2-7-13(10)15(17)18-14/h1-8,14H,9H2,(H2,17,18).
What are the key properties of 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine?
3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine has a molecular weight of 240.28 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-3,4-dihydroisoquinolin-1-amine is sourced from PubChem (CID 18785936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).