1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine

C15H24N2O — CID 54946640

IUPAC1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine
SMILESCOCC(C)N(C)CC1Cc2ccccc2CN1
InChIInChI=1S/C15H24N2O/c1-12(11-18-3)17(2)10-15-8-13-6-4-5-7-14(13)9-16-15/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyLOVZLXSVWQFZPO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.67
Rot. Bonds5

About 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine

1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine (PubChem CID 54946640) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine
PubChem CID54946640
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine
SMILESCOCC(C)N(C)CC1Cc2ccccc2CN1
InChIInChI=1S/C15H24N2O/c1-12(11-18-3)17(2)10-15-8-13-6-4-5-7-14(13)9-16-15/h4-7,12,15-16H,8-11H2,1-3H3
InChIKeyLOVZLXSVWQFZPO-UHFFFAOYSA-N
XLogP1.67
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine?
The IUPAC name of 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine (CID 54946640) is 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine?
The canonical SMILES for 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine is COCC(C)N(C)CC1Cc2ccccc2CN1.
What is the InChIKey of 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine?
The InChIKey is LOVZLXSVWQFZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-12(11-18-3)17(2)10-15-8-13-6-4-5-7-14(13)9-16-15/h4-7,12,15-16H,8-11H2,1-3H3.
What are the key properties of 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine?
1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 54946640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).