(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine

C17H15FN2O — CID 81298869

IUPAC(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
SMILESCOc1ccc(C(N)c2cccc3cnccc23)c(F)c1
InChIInChI=1S/C17H15FN2O/c1-21-12-5-6-15(16(18)9-12)17(19)14-4-2-3-11-10-20-8-7-13(11)14/h2-10,17H,19H2,1H3
InChIKeyXZXAAMARKIMYQF-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.43
Rot. Bonds3

About (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine

(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine (PubChem CID 81298869) has the molecular formula C17H15FN2O and a molecular weight of 282.32 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
PubChem CID81298869
Molecular FormulaC17H15FN2O
Molecular Weight282.32 g/mol
Exact Mass282.12
IUPAC Name(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine
SMILESCOc1ccc(C(N)c2cccc3cnccc23)c(F)c1
InChIInChI=1S/C17H15FN2O/c1-21-12-5-6-15(16(18)9-12)17(19)14-4-2-3-11-10-20-8-7-13(11)14/h2-10,17H,19H2,1H3
InChIKeyXZXAAMARKIMYQF-UHFFFAOYSA-N
XLogP3.43
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

isoquinolin-5-yl-(3-methoxyphenyl)methanamine
CID 62813526
(2-bromo-3-fluorophenyl)-isoquinolin-5-ylmethanamine
CID 115853191
(3-fluoro-4-methylphenyl)-isoquinolin-5-ylmethanamine
CID 62813992
[isoquinolin-5-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105190925
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
(3-chloro-2-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 107096474
[(2,4-difluorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105216661
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(3-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 55118758
isoquinolin-5-yl(phenyl)methanamine
CID 55118760
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine (CID 81298869) is (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine is COc1ccc(C(N)c2cccc3cnccc23)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine?
The InChIKey is XZXAAMARKIMYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O/c1-21-12-5-6-15(16(18)9-12)17(19)14-4-2-3-11-10-20-8-7-13(11)14/h2-10,17H,19H2,1H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine?
(2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine has a molecular weight of 282.32 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-isoquinolin-5-ylmethanamine is sourced from PubChem (CID 81298869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).