3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine

C15H20N2O2 — CID 163576010

IUPAC3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(OC)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-18-9-5-8-16-10-12-11-17-15(19-2)14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,5,8-10H2,1-2H3
InChIKeyGDNFJQICSNOVEB-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.37
Rot. Bonds7

About 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine

3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine (PubChem CID 163576010) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
PubChem CID163576010
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
SMILESCOCCCNCc1cnc(OC)c2ccccc12
InChIInChI=1S/C15H20N2O2/c1-18-9-5-8-16-10-12-11-17-15(19-2)14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,5,8-10H2,1-2H3
InChIKeyGDNFJQICSNOVEB-UHFFFAOYSA-N
XLogP2.37
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxypropan-1-amine
CID 17206692
N-[(1-phenoxyisoquinolin-4-yl)methyl]ethanamine
CID 106777404
3-methoxy-N-[(3-methoxy-2-phenylmethoxyphenyl)methyl]propan-1-amine
CID 17209231
3-methoxy-N-(quinoxalin-2-ylmethyl)propan-1-amine
CID 43769565
2-methoxy-N-(quinolin-4-ylmethyl)ethanamine
CID 62543983
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
2-methoxy-N-[[2-(3-methoxypropoxy)phenyl]methyl]ethanamine
CID 55148747
N-[(2,3-dimethylphenyl)methyl]-3-methoxypropan-1-amine
CID 60657619
N-[(4,5-dimethoxy-2-phenylphenyl)methyl]-3-methoxypropan-1-amine
CID 119110830

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine (CID 163576010) is 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine is COCCCNCc1cnc(OC)c2ccccc12.
What is the InChIKey of 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine?
The InChIKey is GDNFJQICSNOVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-18-9-5-8-16-10-12-11-17-15(19-2)14-7-4-3-6-13(12)14/h3-4,6-7,11,16H,5,8-10H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine?
3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 163576010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).