2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine

C18H26N2O — CID 63377178

IUPAC2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(OC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-17(2,3)19-12-13-11-16(21-18(4,5)6)14-9-7-8-10-15(14)20-13/h7-11,19H,12H2,1-6H3
InChIKeyBKVLRYSSZPUMQA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds3

About 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine

2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine (PubChem CID 63377178) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
PubChem CID63377178
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine
SMILESCC(C)(C)NCc1cc(OC(C)(C)C)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-17(2,3)19-12-13-11-16(21-18(4,5)6)14-9-7-8-10-15(14)20-13/h7-11,19H,12H2,1-6H3
InChIKeyBKVLRYSSZPUMQA-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine (CID 63377178) is 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine is CC(C)(C)NCc1cc(OC(C)(C)C)c2ccccc2n1.
What is the InChIKey of 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine?
The InChIKey is BKVLRYSSZPUMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)19-12-13-11-16(21-18(4,5)6)14-9-7-8-10-15(14)20-13/h7-11,19H,12H2,1-6H3.
What are the key properties of 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine?
2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(2-methylpropan-2-yl)oxy]quinolin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 63377178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).