1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

C18H20N2O — CID 115853114

IUPAC1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1cccc2cnccc12
InChIInChI=1S/C18H20N2O/c1-11-12(2)21-13(3)17(11)18(19-4)16-7-5-6-14-10-20-9-8-15(14)16/h5-10,18-19H,1-4H3
InChIKeyLKYOYKDDEILPEJ-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.06
Rot. Bonds3

About 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine

1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (PubChem CID 115853114) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
PubChem CID115853114
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine
SMILESCNC(c1c(C)oc(C)c1C)c1cccc2cnccc12
InChIInChI=1S/C18H20N2O/c1-11-12(2)21-13(3)17(11)18(19-4)16-7-5-6-14-10-20-9-8-15(14)16/h5-10,18-19H,1-4H3
InChIKeyLKYOYKDDEILPEJ-UHFFFAOYSA-N
XLogP4.06
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 115530639
1-(3,6-dimethylpyridazin-4-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 105143499
1-isoquinolin-5-yl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82901693
1-(3-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107952904
1-(4-chloro-3-methylphenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 115853154
1-(2,5-dichlorothiophen-3-yl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 107968230
N-methyl-1-(2-propan-2-yloxyphenyl)-1-(2,4,5-trimethylfuran-3-yl)methanamine
CID 105018303
4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
[(2-chloro-3-methylphenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303099
1-(5-bromo-2-fluorophenyl)-1-isoquinolin-5-yl-N-methylmethanamine
CID 114894681
1-isoquinolin-5-yl-2-methoxy-N-methylethanamine
CID 62814012
(1S)-1-isoquinolin-5-ylethanol
CID 94831084

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The IUPAC name of 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine (CID 115853114) is 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine.
What is the SMILES notation for 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The canonical SMILES for 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is CNC(c1c(C)oc(C)c1C)c1cccc2cnccc12.
What is the InChIKey of 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
The InChIKey is LKYOYKDDEILPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-11-12(2)21-13(3)17(11)18(19-4)16-7-5-6-14-10-20-9-8-15(14)16/h5-10,18-19H,1-4H3.
What are the key properties of 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine?
1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine has a molecular weight of 280.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-5-yl-N-methyl-1-(2,4,5-trimethylfuran-3-yl)methanamine is sourced from PubChem (CID 115853114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).