1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine

C12H14N2O — CID 106777249

IUPAC1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cnc(OC)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-13-7-9-8-14-12(15-2)11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
InChIKeyBAENMNVQFVZYOJ-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds3

About 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine

1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine (PubChem CID 106777249) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
PubChem CID106777249
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
SMILESCNCc1cnc(OC)c2ccccc12
InChIInChI=1S/C12H14N2O/c1-13-7-9-8-14-12(15-2)11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3
InChIKeyBAENMNVQFVZYOJ-UHFFFAOYSA-N
XLogP1.96
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
CID 163576010
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
CID 106777267
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781
N-ethyl-N-(2-methoxyethyl)-4-(methylaminomethyl)isoquinolin-1-amine
CID 106775669
N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
CID 106777404
1-(5-bromo-2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 62292466
N-ethyl-4-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 106775114
4-(chloromethyl)-1-(2-methoxyphenoxy)isoquinoline
CID 106769529

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine (CID 106777249) is 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine is CNCc1cnc(OC)c2ccccc12.
What is the InChIKey of 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine?
The InChIKey is BAENMNVQFVZYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-13-7-9-8-14-12(15-2)11-6-4-3-5-10(9)11/h3-6,8,13H,7H2,1-2H3.
What are the key properties of 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine?
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine is sourced from PubChem (CID 106777249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).