2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine

C17H22N2O — CID 79234716

IUPAC2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2O/c1-12-9-16(14-5-3-4-6-17(14)19-12)15-10-13(15)11-18-7-8-20-2/h3-6,9,13,15,18H,7-8,10-11H2,1-2H3
InChIKeyIUUFIDVAUKTBRH-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.88
Rot. Bonds6

About 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine

2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine (PubChem CID 79234716) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
PubChem CID79234716
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine
SMILESCOCCNCC1CC1c1cc(C)nc2ccccc12
InChIInChI=1S/C17H22N2O/c1-12-9-16(14-5-3-4-6-17(14)19-12)15-10-13(15)11-18-7-8-20-2/h3-6,9,13,15,18H,7-8,10-11H2,1-2H3
InChIKeyIUUFIDVAUKTBRH-UHFFFAOYSA-N
XLogP2.88
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.88
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 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine (CID 79234716) is 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine is COCCNCC1CC1c1cc(C)nc2ccccc12.
What is the InChIKey of 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine?
The InChIKey is IUUFIDVAUKTBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-9-16(14-5-3-4-6-17(14)19-12)15-10-13(15)11-18-7-8-20-2/h3-6,9,13,15,18H,7-8,10-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine?
2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine has a molecular weight of 270.38 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(2-methylquinolin-4-yl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 79234716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).