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

C18H28N2O — CID 102662040

IUPACN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCC1CCCO1
InChIInChI=1S/C18H28N2O/c1-14(19-2)15-7-8-18-16(13-15)5-3-10-20(18)11-9-17-6-4-12-21-17/h7-8,13-14,17,19H,3-6,9-12H2,1-2H3
InChIKeyRRCCXTORCKZVKQ-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.29
Rot. Bonds5

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

N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102662040) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102662040
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC NameN-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCC1CCCO1
InChIInChI=1S/C18H28N2O/c1-14(19-2)15-7-8-18-16(13-15)5-3-10-20(18)11-9-17-6-4-12-21-17/h7-8,13-14,17,19H,3-6,9-12H2,1-2H3
InChIKeyRRCCXTORCKZVKQ-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-[1-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662076
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661997
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]-N-methylethanamine
CID 102662022
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
1-[1-(2-ethylbutyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661621
N-methyl-1-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661702
1-[1-(2-ethoxyethyl)-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661632
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
1-[3-methoxy-4-[2-(oxolan-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 65159021
N-ethyl-1-(1-hexyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662070
2-[6-[1-(propylamino)ethyl]-3,4-dihydro-2H-quinolin-1-yl]ethanol
CID 102662122

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102662040) is N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CNC(C)c1ccc2c(c1)CCCN2CCC1CCCO1.
What is the InChIKey of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is RRCCXTORCKZVKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(19-2)15-7-8-18-16(13-15)5-3-10-20(18)11-9-17-6-4-12-21-17/h7-8,13-14,17,19H,3-6,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 288.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102662040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).