5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine

C12H14FN2P — CID 166946184

IUPAC5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine
SMILESCc1nc2ccc(N)c(P(C)C)c2cc1F
InChIInChI=1S/C12H14FN2P/c1-7-9(13)6-8-11(15-7)5-4-10(14)12(8)16(2)3/h4-6H,14H2,1-3H3
InChIKeyGCCFBFIEDOLTKG-UHFFFAOYSA-N
MW236.23 g/mol
LogP2.63
Rot. Bonds1

About 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine

5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine (PubChem CID 166946184) has the molecular formula C12H14FN2P and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine.

Molecular Properties

Compound Name5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine
PubChem CID166946184
Molecular FormulaC12H14FN2P
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine
SMILESCc1nc2ccc(N)c(P(C)C)c2cc1F
InChIInChI=1S/C12H14FN2P/c1-7-9(13)6-8-11(15-7)5-4-10(14)12(8)16(2)3/h4-6H,14H2,1-3H3
InChIKeyGCCFBFIEDOLTKG-UHFFFAOYSA-N
XLogP2.63
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-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 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine?
The IUPAC name of 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine (CID 166946184) is 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine.
What is the SMILES notation for 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine?
The canonical SMILES for 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine is Cc1nc2ccc(N)c(P(C)C)c2cc1F.
What is the InChIKey of 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine?
The InChIKey is GCCFBFIEDOLTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN2P/c1-7-9(13)6-8-11(15-7)5-4-10(14)12(8)16(2)3/h4-6H,14H2,1-3H3.
What are the key properties of 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine?
5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine has a molecular weight of 236.23 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-dimethylphosphanyl-3-fluoro-2-methylquinolin-6-amine is sourced from PubChem (CID 166946184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).