1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine

C17H15FN2 — CID 62813146

IUPAC1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H15FN2/c1-17(19,13-5-7-14(18)8-6-13)16-4-2-3-12-11-20-10-9-15(12)16/h2-11H,19H2,1H3
InChIKeyHOYZCTMYNQBNKH-UHFFFAOYSA-N
MW266.32 g/mol
LogP3.60
Rot. Bonds2

About 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine

1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine (PubChem CID 62813146) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
PubChem CID62813146
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
SMILESCC(N)(c1ccc(F)cc1)c1cccc2cnccc12
InChIInChI=1S/C17H15FN2/c1-17(19,13-5-7-14(18)8-6-13)16-4-2-3-12-11-20-10-9-15(12)16/h2-11H,19H2,1H3
InChIKeyHOYZCTMYNQBNKH-UHFFFAOYSA-N
XLogP3.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-1-isoquinolin-5-ylethanol
CID 62811615
1-(4-fluorophenyl)-1-isoquinolin-4-ylethanamine
CID 63940931
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
3-isoquinolin-5-yl-2-methylpentan-3-amine
CID 55119232
1-isoquinolin-8-yl-1-(3-methoxyphenyl)ethanamine
CID 103143227
ethane;isoquinolin-5-amine
CID 143675367
N-tert-butyl-3-isoquinolin-5-yl-3-methylbutan-1-amine
CID 81033755
1-(tert-butylamino)-2-isoquinolin-5-ylpropan-2-ol
CID 66038703

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine?
The IUPAC name of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine (CID 62813146) is 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine?
The canonical SMILES for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine is CC(N)(c1ccc(F)cc1)c1cccc2cnccc12.
What is the InChIKey of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine?
The InChIKey is HOYZCTMYNQBNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-17(19,13-5-7-14(18)8-6-13)16-4-2-3-12-11-20-10-9-15(12)16/h2-11H,19H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine?
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine has a molecular weight of 266.32 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine is sourced from PubChem (CID 62813146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).