2-(2-methylpropoxy)quinolin-6-amine

C13H16N2O — CID 43451075

IUPAC2-(2-methylpropoxy)quinolin-6-amine
SMILESCC(C)COc1ccc2cc(N)ccc2n1
InChIInChI=1S/C13H16N2O/c1-9(2)8-16-13-6-3-10-7-11(14)4-5-12(10)15-13/h3-7,9H,8,14H2,1-2H3
InChIKeyDHRDZBIGEBDFEK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.85
Rot. Bonds3

About 2-(2-methylpropoxy)quinolin-6-amine

2-(2-methylpropoxy)quinolin-6-amine (PubChem CID 43451075) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2-methylpropoxy)quinolin-6-amine.

Molecular Properties

Compound Name2-(2-methylpropoxy)quinolin-6-amine
PubChem CID43451075
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2-methylpropoxy)quinolin-6-amine
SMILESCC(C)COc1ccc2cc(N)ccc2n1
InChIInChI=1S/C13H16N2O/c1-9(2)8-16-13-6-3-10-7-11(14)4-5-12(10)15-13/h3-7,9H,8,14H2,1-2H3
InChIKeyDHRDZBIGEBDFEK-UHFFFAOYSA-N
XLogP2.85
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(2-methylpropoxy)quinolin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropoxy)quinolin-6-amine?
The IUPAC name of 2-(2-methylpropoxy)quinolin-6-amine (CID 43451075) is 2-(2-methylpropoxy)quinolin-6-amine.
What is the SMILES notation for 2-(2-methylpropoxy)quinolin-6-amine?
The canonical SMILES for 2-(2-methylpropoxy)quinolin-6-amine is CC(C)COc1ccc2cc(N)ccc2n1.
What is the InChIKey of 2-(2-methylpropoxy)quinolin-6-amine?
The InChIKey is DHRDZBIGEBDFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)8-16-13-6-3-10-7-11(14)4-5-12(10)15-13/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 2-(2-methylpropoxy)quinolin-6-amine?
2-(2-methylpropoxy)quinolin-6-amine has a molecular weight of 216.28 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropoxy)quinolin-6-amine is sourced from PubChem (CID 43451075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).