6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine

C10H14N2O — CID 54594251

IUPAC6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCOc1ccc2c(c1)C(N)CCN2
InChIInChI=1S/C10H14N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3
InChIKeyLLBCBFNOFUVCAU-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.51
Rot. Bonds1

About 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine

6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine (PubChem CID 54594251) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine.

Molecular Properties

Compound Name6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine
PubChem CID54594251
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine
SMILESCOc1ccc2c(c1)C(N)CCN2
InChIInChI=1S/C10H14N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3
InChIKeyLLBCBFNOFUVCAU-UHFFFAOYSA-N
XLogP1.51
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-methoxy-1,2,3,4-tetrahydroquinolin-4-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 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine?
The IUPAC name of 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine (CID 54594251) is 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine.
What is the SMILES notation for 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine?
The canonical SMILES for 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine is COc1ccc2c(c1)C(N)CCN2.
What is the InChIKey of 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine?
The InChIKey is LLBCBFNOFUVCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-7-2-3-10-8(6-7)9(11)4-5-12-10/h2-3,6,9,12H,4-5,11H2,1H3.
What are the key properties of 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine?
6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,2,3,4-tetrahydroquinolin-4-amine is sourced from PubChem (CID 54594251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).