N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine

C13H19FN2 — CID 105479508

IUPACN-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
SMILESCC(C)NCC1NCCc2cc(F)ccc21
InChIInChI=1S/C13H19FN2/c1-9(2)16-8-13-12-4-3-11(14)7-10(12)5-6-15-13/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3
InChIKeyZFRUYNJGBFLFBZ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.01
Rot. Bonds3

About N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine

N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine (PubChem CID 105479508) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
PubChem CID105479508
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine
SMILESCC(C)NCC1NCCc2cc(F)ccc21
InChIInChI=1S/C13H19FN2/c1-9(2)16-8-13-12-4-3-11(14)7-10(12)5-6-15-13/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3
InChIKeyZFRUYNJGBFLFBZ-UHFFFAOYSA-N
XLogP2.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S)-6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl]methanol
CID 96993138
2-(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)ethanol
CID 105449024
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
1-[(2-methylpropylamino)methyl]-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 105495017
1-cyclopropyl-6-fluoro-1,2,3,4-tetrahydroisoquinoline
CID 83367596
N-[(6-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482674
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-6-amine
CID 119086128
N-[[2-(2,4-difluorophenyl)cyclopropyl]methyl]propan-2-amine
CID 62708395
methyl 2-(7-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate
CID 105480341
N-[[2-(5-fluoro-2-methylphenyl)cyclobutyl]methyl]propan-2-amine
CID 81017316
6-methoxy-1-(4-methylpentyl)-1,2,3,4-tetrahydroisoquinoline
CID 106781104
N-[[2-(2,5-difluorophenyl)cycloheptyl]methyl]propan-2-amine
CID 81025099

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine?
The IUPAC name of N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine (CID 105479508) is N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine is CC(C)NCC1NCCc2cc(F)ccc21.
What is the InChIKey of N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine?
The InChIKey is ZFRUYNJGBFLFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9(2)16-8-13-12-4-3-11(14)7-10(12)5-6-15-13/h3-4,7,9,13,15-16H,5-6,8H2,1-2H3.
What are the key properties of N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine?
N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine has a molecular weight of 222.31 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-fluoro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]propan-2-amine is sourced from PubChem (CID 105479508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).