2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine

C15H24N2O — CID 90146772

IUPAC2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
SMILESCOCCN(C)C[C@@H]1Cc2ccccc2CN1C
InChIInChI=1S/C15H24N2O/c1-16(8-9-18-3)12-15-10-13-6-4-5-7-14(13)11-17(15)2/h4-7,15H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyFIMYIUZIXJTRBW-HNNXBMFYSA-N
MW248.37 g/mol
LogP1.62
Rot. Bonds5

About 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine

2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine (PubChem CID 90146772) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
PubChem CID90146772
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine
SMILESCOCCN(C)C[C@@H]1Cc2ccccc2CN1C
InChIInChI=1S/C15H24N2O/c1-16(8-9-18-3)12-15-10-13-6-4-5-7-14(13)11-17(15)2/h4-7,15H,8-12H2,1-3H3/t15-/m0/s1
InChIKeyFIMYIUZIXJTRBW-HNNXBMFYSA-N
XLogP1.62
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine (CID 90146772) is 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine is COCCN(C)C[C@@H]1Cc2ccccc2CN1C.
What is the InChIKey of 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine?
The InChIKey is FIMYIUZIXJTRBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-16(8-9-18-3)12-15-10-13-6-4-5-7-14(13)11-17(15)2/h4-7,15H,8-12H2,1-3H3/t15-/m0/s1.
What are the key properties of 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine?
2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[[(3S)-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl]methyl]ethanamine is sourced from PubChem (CID 90146772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).