N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine

C16H26N2O — CID 63939949

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCOCCN(CC(C)C)C1CNCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-13(2)12-18(8-9-19-3)16-11-17-10-14-6-4-5-7-15(14)16/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyXKPHBVNXLUZLDD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.44
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine

N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine (PubChem CID 63939949) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
PubChem CID63939949
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine
SMILESCOCCN(CC(C)C)C1CNCc2ccccc21
InChIInChI=1S/C16H26N2O/c1-13(2)12-18(8-9-19-3)16-11-17-10-14-6-4-5-7-15(14)16/h4-7,13,16-17H,8-12H2,1-3H3
InChIKeyXKPHBVNXLUZLDD-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine (CID 63939949) is N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine is COCCN(CC(C)C)C1CNCc2ccccc21.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
The InChIKey is XKPHBVNXLUZLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(2)12-18(8-9-19-3)16-11-17-10-14-6-4-5-7-15(14)16/h4-7,13,16-17H,8-12H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine?
N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-4-amine is sourced from PubChem (CID 63939949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).