6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine

C10H13FN2 — CID 58808079

IUPAC6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCC1CCc2cc(F)cc(N)c2N1
InChIInChI=1S/C10H13FN2/c1-6-2-3-7-4-8(11)5-9(12)10(7)13-6/h4-6,13H,2-3,12H2,1H3
InChIKeyQGVIEVCWCHALSX-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.15
Rot. Bonds

About 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine

6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine (PubChem CID 58808079) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine.

Molecular Properties

Compound Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine
PubChem CID58808079
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine
SMILESCC1CCc2cc(F)cc(N)c2N1
InChIInChI=1S/C10H13FN2/c1-6-2-3-7-4-8(11)5-9(12)10(7)13-6/h4-6,13H,2-3,12H2,1H3
InChIKeyQGVIEVCWCHALSX-UHFFFAOYSA-N
XLogP2.15
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-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-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The IUPAC name of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine (CID 58808079) is 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine.
What is the SMILES notation for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The canonical SMILES for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine is CC1CCc2cc(F)cc(N)c2N1.
What is the InChIKey of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
The InChIKey is QGVIEVCWCHALSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-6-2-3-7-4-8(11)5-9(12)10(7)13-6/h4-6,13H,2-3,12H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine?
6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine has a molecular weight of 180.23 g/mol, XLogP of 2.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1,2,3,4-tetrahydroquinolin-8-amine is sourced from PubChem (CID 58808079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).