3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine

C16H22N2O — CID 63229031

IUPAC3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCc1cc2ccccc2nc1OCCCNC(C)C
InChIInChI=1S/C16H22N2O/c1-12(2)17-9-6-10-19-16-13(3)11-14-7-4-5-8-15(14)18-16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3
InChIKeyKOQOWHUIBKDZOD-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.31
Rot. Bonds6

About 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine

3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine (PubChem CID 63229031) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine
PubChem CID63229031
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine
SMILESCc1cc2ccccc2nc1OCCCNC(C)C
InChIInChI=1S/C16H22N2O/c1-12(2)17-9-6-10-19-16-13(3)11-14-7-4-5-8-15(14)18-16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3
InChIKeyKOQOWHUIBKDZOD-UHFFFAOYSA-N
XLogP3.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.31
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 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine (CID 63229031) is 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine is Cc1cc2ccccc2nc1OCCCNC(C)C.
What is the InChIKey of 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine?
The InChIKey is KOQOWHUIBKDZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12(2)17-9-6-10-19-16-13(3)11-14-7-4-5-8-15(14)18-16/h4-5,7-8,11-12,17H,6,9-10H2,1-3H3.
What are the key properties of 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine?
3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine has a molecular weight of 258.36 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylquinolin-2-yl)oxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 63229031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).