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

C16H26N2O — CID 106449014

IUPACN-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCOCCN1CCC(NCC)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-12-19-13-11-18-10-9-15(17-4-2)14-7-5-6-8-16(14)18/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyONUTXWKYVKVHJA-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.97
Rot. Bonds7

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

N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine (PubChem CID 106449014) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
PubChem CID106449014
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC NameN-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine
SMILESCCCOCCN1CCC(NCC)c2ccccc21
InChIInChI=1S/C16H26N2O/c1-3-12-19-13-11-18-10-9-15(17-4-2)14-7-5-6-8-16(14)18/h5-8,15,17H,3-4,9-13H2,1-2H3
InChIKeyONUTXWKYVKVHJA-UHFFFAOYSA-N
XLogP2.97
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine?
The IUPAC name of N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine (CID 106449014) is N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine.
What is the SMILES notation for N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine?
The canonical SMILES for N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine is CCCOCCN1CCC(NCC)c2ccccc21.
What is the InChIKey of N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine?
The InChIKey is ONUTXWKYVKVHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-12-19-13-11-18-10-9-15(17-4-2)14-7-5-6-8-16(14)18/h5-8,15,17H,3-4,9-13H2,1-2H3.
What are the key properties of N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine?
N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-propoxyethyl)-3,4-dihydro-2H-quinolin-4-amine is sourced from PubChem (CID 106449014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).