N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine

C16H22N2O — CID 63377272

IUPACN-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine
SMILESCCC(C)(C)Oc1cc(CNC)nc2ccccc12
InChIInChI=1S/C16H22N2O/c1-5-16(2,3)19-15-10-12(11-17-4)18-14-9-7-6-8-13(14)15/h6-10,17H,5,11H2,1-4H3
InChIKeyLYDFBKKQYUPRAV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.52
Rot. Bonds5

About N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine

N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine (PubChem CID 63377272) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine
PubChem CID63377272
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine
SMILESCCC(C)(C)Oc1cc(CNC)nc2ccccc12
InChIInChI=1S/C16H22N2O/c1-5-16(2,3)19-15-10-12(11-17-4)18-14-9-7-6-8-13(14)15/h6-10,17H,5,11H2,1-4H3
InChIKeyLYDFBKKQYUPRAV-UHFFFAOYSA-N
XLogP3.52
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine?
The IUPAC name of N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine (CID 63377272) is N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine.
What is the SMILES notation for N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine?
The canonical SMILES for N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine is CCC(C)(C)Oc1cc(CNC)nc2ccccc12.
What is the InChIKey of N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine?
The InChIKey is LYDFBKKQYUPRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-5-16(2,3)19-15-10-12(11-17-4)18-14-9-7-6-8-13(14)15/h6-10,17H,5,11H2,1-4H3.
What are the key properties of N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine?
N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine has a molecular weight of 258.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(2-methylbutan-2-yloxy)quinolin-2-yl]methanamine is sourced from PubChem (CID 63377272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).