2-fluoro-2-isoquinolin-5-ylpropan-1-amine

C12H13FN2 — CID 112565254

IUPAC2-fluoro-2-isoquinolin-5-ylpropan-1-amine
SMILESCC(F)(CN)c1cccc2cnccc12
InChIInChI=1S/C12H13FN2/c1-12(13,8-14)11-4-2-3-9-7-15-6-5-10(9)11/h2-7H,8,14H2,1H3
InChIKeyYDHBTIGHICJZBS-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.38
Rot. Bonds2

About 2-fluoro-2-isoquinolin-5-ylpropan-1-amine

2-fluoro-2-isoquinolin-5-ylpropan-1-amine (PubChem CID 112565254) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-fluoro-2-isoquinolin-5-ylpropan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-isoquinolin-5-ylpropan-1-amine
PubChem CID112565254
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-fluoro-2-isoquinolin-5-ylpropan-1-amine
SMILESCC(F)(CN)c1cccc2cnccc12
InChIInChI=1S/C12H13FN2/c1-12(13,8-14)11-4-2-3-9-7-15-6-5-10(9)11/h2-7H,8,14H2,1H3
InChIKeyYDHBTIGHICJZBS-UHFFFAOYSA-N
XLogP2.38
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
CID 81033755
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703
5-amino-2-isoquinolin-5-yl-1-methoxypentan-2-ol
CID 103391450

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-isoquinolin-5-ylpropan-1-amine?
The IUPAC name of 2-fluoro-2-isoquinolin-5-ylpropan-1-amine (CID 112565254) is 2-fluoro-2-isoquinolin-5-ylpropan-1-amine.
What is the SMILES notation for 2-fluoro-2-isoquinolin-5-ylpropan-1-amine?
The canonical SMILES for 2-fluoro-2-isoquinolin-5-ylpropan-1-amine is CC(F)(CN)c1cccc2cnccc12.
What is the InChIKey of 2-fluoro-2-isoquinolin-5-ylpropan-1-amine?
The InChIKey is YDHBTIGHICJZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-12(13,8-14)11-4-2-3-9-7-15-6-5-10(9)11/h2-7H,8,14H2,1H3.
What are the key properties of 2-fluoro-2-isoquinolin-5-ylpropan-1-amine?
2-fluoro-2-isoquinolin-5-ylpropan-1-amine has a molecular weight of 204.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-isoquinolin-5-ylpropan-1-amine is sourced from PubChem (CID 112565254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).