2-fluoro-2-isoquinolin-4-ylbutan-1-amine

C13H15FN2 — CID 112565934

IUPAC2-fluoro-2-isoquinolin-4-ylbutan-1-amine
SMILESCCC(F)(CN)c1cncc2ccccc12
InChIInChI=1S/C13H15FN2/c1-2-13(14,9-15)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,2,9,15H2,1H3
InChIKeyGTOGPBJERMKHNY-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.77
Rot. Bonds3

About 2-fluoro-2-isoquinolin-4-ylbutan-1-amine

2-fluoro-2-isoquinolin-4-ylbutan-1-amine (PubChem CID 112565934) has the molecular formula C13H15FN2 and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-fluoro-2-isoquinolin-4-ylbutan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-isoquinolin-4-ylbutan-1-amine
PubChem CID112565934
Molecular FormulaC13H15FN2
Molecular Weight218.28 g/mol
Exact Mass218.12
IUPAC Name2-fluoro-2-isoquinolin-4-ylbutan-1-amine
SMILESCCC(F)(CN)c1cncc2ccccc12
InChIInChI=1S/C13H15FN2/c1-2-13(14,9-15)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,2,9,15H2,1H3
InChIKeyGTOGPBJERMKHNY-UHFFFAOYSA-N
XLogP2.77
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-methylpentan-2-yl)isoquinoline
CID 139319427
2-isoquinolin-4-ylpentan-2-ol
CID 80557388
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
CID 63940931
1-isoquinolin-4-yl-2-methoxy-1-phenylethanol
CID 103465697
4-(4-chloro-2-methylpentan-2-yl)isoquinoline
CID 64717256
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
N-(2-methylbutan-2-yl)isoquinolin-4-amine
CID 71046911
3-amino-1-isoquinolin-4-yl-2,2-dimethylpropan-1-one
CID 116600011
2-isoquinolin-4-ylpropan-1-amine
CID 81020930
4-(tert-butylamino)-2-isoquinolin-4-ylbutan-2-ol
CID 66001660
1-(1,1,1-trifluoro-2-methylbutan-2-yl)naphthalene
CID 118544454

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-isoquinolin-4-ylbutan-1-amine?
The IUPAC name of 2-fluoro-2-isoquinolin-4-ylbutan-1-amine (CID 112565934) is 2-fluoro-2-isoquinolin-4-ylbutan-1-amine.
What is the SMILES notation for 2-fluoro-2-isoquinolin-4-ylbutan-1-amine?
The canonical SMILES for 2-fluoro-2-isoquinolin-4-ylbutan-1-amine is CCC(F)(CN)c1cncc2ccccc12.
What is the InChIKey of 2-fluoro-2-isoquinolin-4-ylbutan-1-amine?
The InChIKey is GTOGPBJERMKHNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2/c1-2-13(14,9-15)12-8-16-7-10-5-3-4-6-11(10)12/h3-8H,2,9,15H2,1H3.
What are the key properties of 2-fluoro-2-isoquinolin-4-ylbutan-1-amine?
2-fluoro-2-isoquinolin-4-ylbutan-1-amine has a molecular weight of 218.28 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-isoquinolin-4-ylbutan-1-amine is sourced from PubChem (CID 112565934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).