1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine

C15H24N2O — CID 62342338

IUPAC1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CN1CCCOC
InChIInChI=1S/C15H24N2O/c1-16-11-15-10-13-6-3-4-7-14(13)12-17(15)8-5-9-18-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyOECGKEBTPWQTEF-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.67
Rot. Bonds6

About 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine

1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine (PubChem CID 62342338) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
PubChem CID62342338
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine
SMILESCNCC1Cc2ccccc2CN1CCCOC
InChIInChI=1S/C15H24N2O/c1-16-11-15-10-13-6-3-4-7-14(13)12-17(15)8-5-9-18-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3
InChIKeyOECGKEBTPWQTEF-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine (CID 62342338) is 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine is CNCC1Cc2ccccc2CN1CCCOC.
What is the InChIKey of 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
The InChIKey is OECGKEBTPWQTEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16-11-15-10-13-6-3-4-7-14(13)12-17(15)8-5-9-18-2/h3-4,6-7,15-16H,5,8-12H2,1-2H3.
What are the key properties of 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine?
1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxypropyl)-3,4-dihydro-1H-isoquinolin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62342338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).