1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine

C17H24N2O — CID 82577540

IUPAC1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C17H24N2O/c1-11(2)10-20-15-5-6-17-16(9-15)12(3)7-14(19-17)8-13(4)18/h5-7,9,11,13H,8,10,18H2,1-4H3
InChIKeyLOKNGWLQOYXEBU-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.47
Rot. Bonds5

About 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine

1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine (PubChem CID 82577540) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine.

Molecular Properties

Compound Name1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
PubChem CID82577540
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine
SMILESCc1cc(CC(C)N)nc2ccc(OCC(C)C)cc12
InChIInChI=1S/C17H24N2O/c1-11(2)10-20-15-5-6-17-16(9-15)12(3)7-14(19-17)8-13(4)18/h5-7,9,11,13H,8,10,18H2,1-4H3
InChIKeyLOKNGWLQOYXEBU-UHFFFAOYSA-N
XLogP3.47
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine?
The IUPAC name of 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine (CID 82577540) is 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine.
What is the SMILES notation for 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine?
The canonical SMILES for 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine is Cc1cc(CC(C)N)nc2ccc(OCC(C)C)cc12.
What is the InChIKey of 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine?
The InChIKey is LOKNGWLQOYXEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11(2)10-20-15-5-6-17-16(9-15)12(3)7-14(19-17)8-13(4)18/h5-7,9,11,13H,8,10,18H2,1-4H3.
What are the key properties of 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine?
1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(2-methylpropoxy)quinolin-2-yl]propan-2-amine is sourced from PubChem (CID 82577540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).