N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine

C15H20N2O2 — CID 62597332

IUPACN-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
SMILESCOCCNCC(C)Oc1cccc2cccnc12
InChIInChI=1S/C15H20N2O2/c1-12(11-16-9-10-18-2)19-14-7-3-5-13-6-4-8-17-15(13)14/h3-8,12,16H,9-11H2,1-2H3
InChIKeyLMEFHEVBXCRQBO-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.24
Rot. Bonds7

About N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine

N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine (PubChem CID 62597332) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
PubChem CID62597332
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine
SMILESCOCCNCC(C)Oc1cccc2cccnc12
InChIInChI=1S/C15H20N2O2/c1-12(11-16-9-10-18-2)19-14-7-3-5-13-6-4-8-17-15(13)14/h3-8,12,16H,9-11H2,1-2H3
InChIKeyLMEFHEVBXCRQBO-UHFFFAOYSA-N
XLogP2.24
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine (CID 62597332) is N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine is COCCNCC(C)Oc1cccc2cccnc12.
What is the InChIKey of N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine?
The InChIKey is LMEFHEVBXCRQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-12(11-16-9-10-18-2)19-14-7-3-5-13-6-4-8-17-15(13)14/h3-8,12,16H,9-11H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine?
N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine has a molecular weight of 260.34 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-quinolin-8-yloxypropan-1-amine is sourced from PubChem (CID 62597332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).