1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine

C16H26N2O — CID 102662004

IUPAC1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCCOC
InChIInChI=1S/C16H26N2O/c1-13(17-2)14-7-8-16-15(12-14)6-4-9-18(16)10-5-11-19-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyFOWYTDMNFWFJCQ-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.76
Rot. Bonds6

About 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine

1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine (PubChem CID 102662004) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
PubChem CID102662004
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCCOC
InChIInChI=1S/C16H26N2O/c1-13(17-2)14-7-8-16-15(12-14)6-4-9-18(16)10-5-11-19-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3
InChIKeyFOWYTDMNFWFJCQ-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662108
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661997
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662040
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
1-[1-(4-methylpentyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661900
1-[1-[3-(2-methoxyethoxy)propyl]-2,3-dihydroindol-5-yl]ethanamine
CID 103408871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine?
The IUPAC name of 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine (CID 102662004) is 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine.
What is the SMILES notation for 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine?
The canonical SMILES for 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine is CNC(C)c1ccc2c(c1)CCCN2CCCOC.
What is the InChIKey of 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine?
The InChIKey is FOWYTDMNFWFJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13(17-2)14-7-8-16-15(12-14)6-4-9-18(16)10-5-11-19-3/h7-8,12-13,17H,4-6,9-11H2,1-3H3.
What are the key properties of 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine?
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine is sourced from PubChem (CID 102662004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).