7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine

C13H20N2O — CID 178094699

IUPAC7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCCOc1cc2c(cc1N)CCCN2CC
InChIInChI=1S/C13H20N2O/c1-3-15-7-5-6-10-8-11(14)13(16-4-2)9-12(10)15/h8-9H,3-7,14H2,1-2H3
InChIKeyGNGNFBYLMPSJCP-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.44
Rot. Bonds3

About 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine

7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine (PubChem CID 178094699) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine.

Molecular Properties

Compound Name7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine
PubChem CID178094699
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine
SMILESCCOc1cc2c(cc1N)CCCN2CC
InChIInChI=1S/C13H20N2O/c1-3-15-7-5-6-10-8-11(14)13(16-4-2)9-12(10)15/h8-9H,3-7,14H2,1-2H3
InChIKeyGNGNFBYLMPSJCP-UHFFFAOYSA-N
XLogP2.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine?
The IUPAC name of 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine (CID 178094699) is 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine.
What is the SMILES notation for 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine?
The canonical SMILES for 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine is CCOc1cc2c(cc1N)CCCN2CC.
What is the InChIKey of 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine?
The InChIKey is GNGNFBYLMPSJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-15-7-5-6-10-8-11(14)13(16-4-2)9-12(10)15/h8-9H,3-7,14H2,1-2H3.
What are the key properties of 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine?
7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine has a molecular weight of 220.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-1-ethyl-3,4-dihydro-2H-quinolin-6-amine is sourced from PubChem (CID 178094699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).