2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine

C16H24N2O — CID 82835513

IUPAC2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)C2CCCO2)C1
InChIInChI=1S/C16H24N2O/c1-12-9-13-5-2-3-6-14(13)18(11-12)15(10-17)16-7-4-8-19-16/h2-3,5-6,12,15-16H,4,7-11,17H2,1H3
InChIKeyPPONYFQZOVBAOC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.19
Rot. Bonds3

About 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine

2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine (PubChem CID 82835513) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine
PubChem CID82835513
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine
SMILESCC1Cc2ccccc2N(C(CN)C2CCCO2)C1
InChIInChI=1S/C16H24N2O/c1-12-9-13-5-2-3-6-14(13)18(11-12)15(10-17)16-7-4-8-19-16/h2-3,5-6,12,15-16H,4,7-11,17H2,1H3
InChIKeyPPONYFQZOVBAOC-UHFFFAOYSA-N
XLogP2.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine?
The IUPAC name of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine (CID 82835513) is 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine is CC1Cc2ccccc2N(C(CN)C2CCCO2)C1.
What is the InChIKey of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine?
The InChIKey is PPONYFQZOVBAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12-9-13-5-2-3-6-14(13)18(11-12)15(10-17)16-7-4-8-19-16/h2-3,5-6,12,15-16H,4,7-11,17H2,1H3.
What are the key properties of 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine?
2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 82835513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).