1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine

C14H22N2O — CID 89221880

IUPAC1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCCOCCN1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2O/c1-2-9-17-10-8-16-7-3-4-12-5-6-13(15)11-14(12)16/h5-6,11H,2-4,7-10,15H2,1H3
InChIKeyJVUQLAXFRDZQGO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.45
Rot. Bonds5

About 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine

1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine (PubChem CID 89221880) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine.

Molecular Properties

Compound Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
PubChem CID89221880
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine
SMILESCCCOCCN1CCCc2ccc(N)cc21
InChIInChI=1S/C14H22N2O/c1-2-9-17-10-8-16-7-3-4-12-5-6-13(15)11-14(12)16/h5-6,11H,2-4,7-10,15H2,1H3
InChIKeyJVUQLAXFRDZQGO-UHFFFAOYSA-N
XLogP2.45
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine?
The IUPAC name of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine (CID 89221880) is 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine.
What is the SMILES notation for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine?
The canonical SMILES for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine is CCCOCCN1CCCc2ccc(N)cc21.
What is the InChIKey of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine?
The InChIKey is JVUQLAXFRDZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-9-17-10-8-16-7-3-4-12-5-6-13(15)11-14(12)16/h5-6,11H,2-4,7-10,15H2,1H3.
What are the key properties of 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine?
1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine has a molecular weight of 234.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-7-amine is sourced from PubChem (CID 89221880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).