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

C15H24N2O3S — CID 102661427

IUPAC1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCOCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C15H24N2O3S/c1-3-20-9-10-21(18,19)17-8-4-5-14-11-13(12(2)16)6-7-15(14)17/h6-7,11-12H,3-5,8-10,16H2,1-2H3
InChIKeyNGZFEKNAMJSAJU-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.83
Rot. Bonds6

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

1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 102661427) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID102661427
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC Name1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCOCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21
InChIInChI=1S/C15H24N2O3S/c1-3-20-9-10-21(18,19)17-8-4-5-14-11-13(12(2)16)6-7-15(14)17/h6-7,11-12H,3-5,8-10,16H2,1-2H3
InChIKeyNGZFEKNAMJSAJU-UHFFFAOYSA-N
XLogP1.83
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-propylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661429
1-[1-(3-methoxypropylsulfonyl)-2,3-dihydroindol-5-yl]ethanamine
CID 102661285
6-fluoro-1-propylsulfonyl-3,4-dihydro-2H-quinoline
CID 110714234
6-methyl-1-(2-phenylmethoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 91956362
5-(1-aminoethyl)-N-propan-2-yl-2,3-dihydroindole-1-sulfonamide
CID 102661293
1-(1-cyclohexylsulfonyl-2,3-dihydroindol-5-yl)ethanamine
CID 102661303
1-[1-[2-(2-methylpropoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 106449096
1-[1-[2-(2-methoxyethoxy)ethyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661928
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
6-methyl-1-(2-phenoxyethylsulfonyl)-3,4-dihydro-2H-quinoline
CID 51135938
1-(1-pentyl-3,4-dihydro-2H-quinolin-6-yl)ethanamine
CID 102661907
1-butylsulfonyl-6-chloro-3,4-dihydro-2H-quinoline
CID 110714280

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 102661427) is 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CCOCCS(=O)(=O)N1CCCc2cc(C(C)N)ccc21.
What is the InChIKey of 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is NGZFEKNAMJSAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-3-20-9-10-21(18,19)17-8-4-5-14-11-13(12(2)16)6-7-15(14)17/h6-7,11-12H,3-5,8-10,16H2,1-2H3.
What are the key properties of 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 312.44 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethoxyethylsulfonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 102661427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).