N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C18H30N2O — CID 102662108

IUPACN-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCCN2CCCCOC
InChIInChI=1S/C18H30N2O/c1-4-19-15(2)16-9-10-18-17(14-16)8-7-12-20(18)11-5-6-13-21-3/h9-10,14-15,19H,4-8,11-13H2,1-3H3
InChIKeySCSXLIUUOSRULQ-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.54
Rot. Bonds8

About N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine

N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102662108) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102662108
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCNC(C)c1ccc2c(c1)CCCN2CCCCOC
InChIInChI=1S/C18H30N2O/c1-4-19-15(2)16-9-10-18-17(14-16)8-7-12-20(18)11-5-6-13-21-3/h9-10,14-15,19H,4-8,11-13H2,1-3H3
InChIKeySCSXLIUUOSRULQ-UHFFFAOYSA-N
XLogP3.54
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.54
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

N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
4-[6-[1-(ethylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]butan-1-ol
CID 102662106
1-[1-(3-methoxypropyl)-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662004
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
N-ethyl-1-[1-(3-fluoropropyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661804
N-ethyl-1-[1-[2-(2-methylpropoxy)ethyl]-2,3-dihydroindol-5-yl]ethanamine
CID 106449089
N-ethyl-1-[1-(3-methylbutyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661751
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662076

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102662108) is N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CCNC(C)c1ccc2c(c1)CCCN2CCCCOC.
What is the InChIKey of N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is SCSXLIUUOSRULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-4-19-15(2)16-9-10-18-17(14-16)8-7-12-20(18)11-5-6-13-21-3/h9-10,14-15,19H,4-8,11-13H2,1-3H3.
What are the key properties of N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 290.45 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(4-methoxybutyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102662108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).