2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine

C16H24N2O — CID 118366925

IUPAC2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine
SMILESNCCC1CC(C2CCOCC2)c2ccccc2N1
InChIInChI=1S/C16H24N2O/c17-8-5-13-11-15(12-6-9-19-10-7-12)14-3-1-2-4-16(14)18-13/h1-4,12-13,15,18H,5-11,17H2
InChIKeyHHCRREFGIBTAOH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.73
Rot. Bonds3

About 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine

2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine (PubChem CID 118366925) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine
PubChem CID118366925
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine
SMILESNCCC1CC(C2CCOCC2)c2ccccc2N1
InChIInChI=1S/C16H24N2O/c17-8-5-13-11-15(12-6-9-19-10-7-12)14-3-1-2-4-16(14)18-13/h1-4,12-13,15,18H,5-11,17H2
InChIKeyHHCRREFGIBTAOH-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-4-(oxolan-3-yl)-1,2,3,4-tetrahydroquinoline
CID 106778974
2-(2,3-dihydro-1H-indol-2-yl)ethanamine;dihydrochloride
CID 165454907
5-(oxan-4-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 146304906
4-phenyl-2-propyl-1,2,3,4-tetrahydroquinoline
CID 139220205
(4aR)-2,3,4,4a,9,9a-hexahydro-1H-carbazole
CID 143386629
[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-(oxan-4-yl)methanone
CID 63234920
2-methyl-4-(5-oxaspiro[3.5]nonan-8-yl)-1,2,3,4-tetrahydroquinoline
CID 106780453
2-[2-(oxan-4-yl)phenoxy]ethanamine
CID 115032722
4-[2-(oxan-4-yl)phenyl]butan-1-amine
CID 117339355
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
(6aR,10aS)-5,6,6a,7,8,9,10,10a-octahydrophenanthridine
CID 100962245
4-cyclobutyl-1,2,3,4-tetrahydroquinoline
CID 82405278

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine?
The IUPAC name of 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine (CID 118366925) is 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine is NCCC1CC(C2CCOCC2)c2ccccc2N1.
What is the InChIKey of 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine?
The InChIKey is HHCRREFGIBTAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c17-8-5-13-11-15(12-6-9-19-10-7-12)14-3-1-2-4-16(14)18-13/h1-4,12-13,15,18H,5-11,17H2.
What are the key properties of 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine?
2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-4-yl)-1,2,3,4-tetrahydroquinolin-2-yl]ethanamine is sourced from PubChem (CID 118366925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).