1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine

C16H16N2O — CID 107038302

IUPAC1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc3cnccc3c2)o1
InChIInChI=1S/C16H16N2O/c1-12-2-5-16(19-12)11-18-9-13-3-4-15-10-17-7-6-14(15)8-13/h2-8,10,18H,9,11H2,1H3
InChIKeyZAHAUWWFFKXUHL-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.43
Rot. Bonds4

About 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine

1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 107038302) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID107038302
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccc3cnccc3c2)o1
InChIInChI=1S/C16H16N2O/c1-12-2-5-16(19-12)11-18-9-13-3-4-15-10-17-7-6-14(15)8-13/h2-8,10,18H,9,11H2,1H3
InChIKeyZAHAUWWFFKXUHL-UHFFFAOYSA-N
XLogP3.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-isoquinolin-6-yl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 114185996
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
1-isoquinolin-6-yl-N-[(2-methylphenyl)methyl]methanamine
CID 107038031
N-[(3,5-dimethylphenyl)methyl]-1-(5-methylfuran-2-yl)methanamine
CID 55081933
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584
2-(isoquinolin-6-ylmethylamino)-N-methylacetamide
CID 107037794
1-(3-ethoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 60776548
1-isoquinolin-6-yl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 107038081
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009
[3-[[(5-methylfuran-2-yl)methylamino]methyl]phenyl]methanamine
CID 115213024
N-[(5-methylfuran-2-yl)methyl]-1-(4-propan-2-yloxyphenyl)methanamine
CID 60761686
5-chloro-N-(isoquinolin-6-ylmethyl)-2-methylaniline
CID 107037411

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 107038302) is 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine is Cc1ccc(CNCc2ccc3cnccc3c2)o1.
What is the InChIKey of 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is ZAHAUWWFFKXUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-12-2-5-16(19-12)11-18-9-13-3-4-15-10-17-7-6-14(15)8-13/h2-8,10,18H,9,11H2,1H3.
What are the key properties of 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine has a molecular weight of 252.32 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-6-yl-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 107038302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).