8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine

C10H14N2O — CID 84656610

IUPAC8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
SMILESCOc1c(N)ccc2c1NCCC2
InChIInChI=1S/C10H14N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h4-5,12H,2-3,6,11H2,1H3
InChIKeyGDEVCRBWULGCPP-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.64
Rot. Bonds1

About 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine

8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine (PubChem CID 84656610) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine.

Molecular Properties

Compound Name8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
PubChem CID84656610
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine
SMILESCOc1c(N)ccc2c1NCCC2
InChIInChI=1S/C10H14N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h4-5,12H,2-3,6,11H2,1H3
InChIKeyGDEVCRBWULGCPP-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine?
The IUPAC name of 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine (CID 84656610) is 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine.
What is the SMILES notation for 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine?
The canonical SMILES for 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine is COc1c(N)ccc2c1NCCC2.
What is the InChIKey of 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine?
The InChIKey is GDEVCRBWULGCPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-13-10-8(11)5-4-7-3-2-6-12-9(7)10/h4-5,12H,2-3,6,11H2,1H3.
What are the key properties of 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine?
8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine has a molecular weight of 178.24 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-1,2,3,4-tetrahydroquinolin-7-amine is sourced from PubChem (CID 84656610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).