4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine

C16H22N2O — CID 114857319

IUPAC4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
SMILESCNC(CCCOC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-12-11-16(15(17-2)9-6-10-19-3)18-14-8-5-4-7-13(12)14/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3
InChIKeyHWDLHUKDGCCPKM-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.23
Rot. Bonds6

About 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine

4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine (PubChem CID 114857319) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
PubChem CID114857319
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine
SMILESCNC(CCCOC)c1cc(C)c2ccccc2n1
InChIInChI=1S/C16H22N2O/c1-12-11-16(15(17-2)9-6-10-19-3)18-14-8-5-4-7-13(12)14/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3
InChIKeyHWDLHUKDGCCPKM-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.23
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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Related Compounds

2-cyclobutyl-N-methyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755199
N-methyl-1-(4-methylquinolin-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 114755171
N-methyl-2-(1-methylpyrazol-4-yl)-1-(4-methylquinolin-2-yl)ethanamine
CID 114755156
1-(4-methylquinolin-2-yl)-N-propylhex-5-en-1-amine
CID 114755324
4-methoxy-N-methyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103128359
[4-methyl-1-(4-methylquinolin-2-yl)pent-4-enyl]hydrazine
CID 105279669
N-ethyl-1-(4-methylquinolin-2-yl)ethanamine
CID 114755257
(1R)-1-(4-methylquinolin-2-yl)butan-1-ol
CID 104969389
1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
CID 115608859
3-methyl-1-(4-methylquinolin-2-yl)-N-propylbut-3-en-1-amine
CID 114755354
4-methoxy-N-methyl-1-(4-methylphenyl)butan-1-amine
CID 62602221
9-(4-methoxybutyl)acridine
CID 54573696

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine?
The IUPAC name of 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine (CID 114857319) is 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine is CNC(CCCOC)c1cc(C)c2ccccc2n1.
What is the InChIKey of 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine?
The InChIKey is HWDLHUKDGCCPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-11-16(15(17-2)9-6-10-19-3)18-14-8-5-4-7-13(12)14/h4-5,7-8,11,15,17H,6,9-10H2,1-3H3.
What are the key properties of 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine?
4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-1-(4-methylquinolin-2-yl)butan-1-amine is sourced from PubChem (CID 114857319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).