N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine

C19H19FN2O2 — CID 155808538

IUPACN-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
SMILESCOc1cc2cc(NCc3ccc(F)cc3)nc(C)c2cc1OC
InChIInChI=1S/C19H19FN2O2/c1-12-16-10-18(24-3)17(23-2)8-14(16)9-19(22-12)21-11-13-4-6-15(20)7-5-13/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyHLYLFYRWRMWAEM-UHFFFAOYSA-N
MW326.37 g/mol
LogP4.31
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine

N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine (PubChem CID 155808538) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
PubChem CID155808538
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
SMILESCOc1cc2cc(NCc3ccc(F)cc3)nc(C)c2cc1OC
InChIInChI=1S/C19H19FN2O2/c1-12-16-10-18(24-3)17(23-2)8-14(16)9-19(22-12)21-11-13-4-6-15(20)7-5-13/h4-10H,11H2,1-3H3,(H,21,22)
InChIKeyHLYLFYRWRMWAEM-UHFFFAOYSA-N
XLogP4.31
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine (CID 155808538) is N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine is COc1cc2cc(NCc3ccc(F)cc3)nc(C)c2cc1OC.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
The InChIKey is HLYLFYRWRMWAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-16-10-18(24-3)17(23-2)8-14(16)9-19(22-12)21-11-13-4-6-15(20)7-5-13/h4-10H,11H2,1-3H3,(H,21,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine?
N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine has a molecular weight of 326.37 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine is sourced from PubChem (CID 155808538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).