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

C15H24N2O2S — CID 102661997

IUPACN-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCS(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-6-7-15-14(11-13)5-4-8-17(15)9-10-20(3,18)19/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyYGCSOOZZRHPBCK-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.76
Rot. Bonds5

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

N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102661997) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102661997
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCNC(C)c1ccc2c(c1)CCCN2CCS(C)(=O)=O
InChIInChI=1S/C15H24N2O2S/c1-12(16-2)13-6-7-15-14(11-13)5-4-8-17(15)9-10-20(3,18)19/h6-7,11-12,16H,4-5,8-10H2,1-3H3
InChIKeyYGCSOOZZRHPBCK-UHFFFAOYSA-N
XLogP1.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
3-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]-N-propan-2-ylpropanamide
CID 102661646
N-methyl-1-[1-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102662040
2-methyl-4-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]butan-2-ol
CID 102661733
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
1-[1-[2-(diethylamino)ethyl]-2,3-dihydroindol-5-yl]-N-methylethanamine
CID 102661638
N-ethyl-1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102662084
N-methyl-2-[5-[1-(methylamino)ethyl]-2,3-dihydroindol-1-yl]acetamide
CID 102661706
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-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102661997) is N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CNC(C)c1ccc2c(c1)CCCN2CCS(C)(=O)=O.
What is the InChIKey of N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is YGCSOOZZRHPBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-12(16-2)13-6-7-15-14(11-13)5-4-8-17(15)9-10-20(3,18)19/h6-7,11-12,16H,4-5,8-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 296.44 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(2-methylsulfonylethyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102661997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).