2-tert-butyl-6-methoxyquinolin-4-amine

C14H18N2O — CID 55045942

IUPAC2-tert-butyl-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nc(C(C)(C)C)cc(N)c2c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13-8-11(15)10-7-9(17-4)5-6-12(10)16-13/h5-8H,1-4H3,(H2,15,16)
InChIKeyTXYPZIQPHCIYII-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.12
Rot. Bonds1

About 2-tert-butyl-6-methoxyquinolin-4-amine

2-tert-butyl-6-methoxyquinolin-4-amine (PubChem CID 55045942) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-tert-butyl-6-methoxyquinolin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-methoxyquinolin-4-amine
PubChem CID55045942
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-tert-butyl-6-methoxyquinolin-4-amine
SMILESCOc1ccc2nc(C(C)(C)C)cc(N)c2c1
InChIInChI=1S/C14H18N2O/c1-14(2,3)13-8-11(15)10-7-9(17-4)5-6-12(10)16-13/h5-8H,1-4H3,(H2,15,16)
InChIKeyTXYPZIQPHCIYII-UHFFFAOYSA-N
XLogP3.12
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-methoxyquinolin-4-amine?
The IUPAC name of 2-tert-butyl-6-methoxyquinolin-4-amine (CID 55045942) is 2-tert-butyl-6-methoxyquinolin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-methoxyquinolin-4-amine?
The canonical SMILES for 2-tert-butyl-6-methoxyquinolin-4-amine is COc1ccc2nc(C(C)(C)C)cc(N)c2c1.
What is the InChIKey of 2-tert-butyl-6-methoxyquinolin-4-amine?
The InChIKey is TXYPZIQPHCIYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-14(2,3)13-8-11(15)10-7-9(17-4)5-6-12(10)16-13/h5-8H,1-4H3,(H2,15,16).
What are the key properties of 2-tert-butyl-6-methoxyquinolin-4-amine?
2-tert-butyl-6-methoxyquinolin-4-amine has a molecular weight of 230.31 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-methoxyquinolin-4-amine is sourced from PubChem (CID 55045942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).