N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine

C17H22N2O2 — CID 106777267

IUPACN-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OCC2CCCCO2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c1-18-10-13-11-19-17(16-8-3-2-7-15(13)16)21-12-14-6-4-5-9-20-14/h2-3,7-8,11,14,18H,4-6,9-10,12H2,1H3
InChIKeyRUAUQFVEGCJUAG-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.90
Rot. Bonds5

About N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine

N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine (PubChem CID 106777267) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
PubChem CID106777267
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OCC2CCCCO2)c2ccccc12
InChIInChI=1S/C17H22N2O2/c1-18-10-13-11-19-17(16-8-3-2-7-15(13)16)21-12-14-6-4-5-9-20-14/h2-3,7-8,11,14,18H,4-6,9-10,12H2,1H3
InChIKeyRUAUQFVEGCJUAG-UHFFFAOYSA-N
XLogP2.90
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-chloro-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 112608637
N-methyl-1-[6-methyl-4-(oxan-2-ylmethoxy)-3-pyridinyl]methanamine
CID 81255345
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
N-methyl-1-[5-(oxan-2-ylmethoxy)pyrazin-2-yl]methanamine
CID 107381389
N-methyl-1-[2-[2-(oxan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 62444128
N-methyl-1-[4-methyl-2-(oxolan-2-ylmethoxy)pyrimidin-5-yl]methanamine
CID 83189883
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
1-[4-methoxy-2-(oxan-2-ylmethoxy)phenyl]-N-methylmethanamine
CID 61268338
3-chloro-5-(chloromethyl)-2-(oxan-2-ylmethoxy)pyridine
CID 61258069
2-methyl-N-[[2-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62291392
2-methyl-N-[[3-methyl-2-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 115954254
N-methyl-1-[2-[2-(oxolan-2-ylmethoxy)ethoxy]phenyl]methanamine
CID 55077796

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine (CID 106777267) is N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine is CNCc1cnc(OCC2CCCCO2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine?
The InChIKey is RUAUQFVEGCJUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-18-10-13-11-19-17(16-8-3-2-7-15(13)16)21-12-14-6-4-5-9-20-14/h2-3,7-8,11,14,18H,4-6,9-10,12H2,1H3.
What are the key properties of N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine?
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine has a molecular weight of 286.38 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).