2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine

C17H28FN3O — CID 176963032

IUPAC2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine
SMILESCOCC(C)(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H28FN3O/c1-17(18,13-22-2)12-19-10-4-3-7-15-9-8-14-6-5-11-20-16(14)21-15/h8-9,19H,3-7,10-13H2,1-2H3,(H,20,21)
InChIKeyOYQRLSGHTASVSN-UHFFFAOYSA-N
MW309.43 g/mol
LogP2.73
Rot. Bonds9

About 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine

2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine (PubChem CID 176963032) has the molecular formula C17H28FN3O and a molecular weight of 309.43 g/mol. Its IUPAC name is 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine
PubChem CID176963032
Molecular FormulaC17H28FN3O
Molecular Weight309.43 g/mol
Exact Mass309.22
IUPAC Name2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine
SMILESCOCC(C)(F)CNCCCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C17H28FN3O/c1-17(18,13-22-2)12-19-10-4-3-7-15-9-8-14-6-5-11-20-16(14)21-15/h8-9,19H,3-7,10-13H2,1-2H3,(H,20,21)
InChIKeyOYQRLSGHTASVSN-UHFFFAOYSA-N
XLogP2.73
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.43
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-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-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine?
The IUPAC name of 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine (CID 176963032) is 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine.
What is the SMILES notation for 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine?
The canonical SMILES for 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine is COCC(C)(F)CNCCCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine?
The InChIKey is OYQRLSGHTASVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FN3O/c1-17(18,13-22-2)12-19-10-4-3-7-15-9-8-14-6-5-11-20-16(14)21-15/h8-9,19H,3-7,10-13H2,1-2H3,(H,20,21).
What are the key properties of 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine?
2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine has a molecular weight of 309.43 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methoxy-2-methyl-N-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]propan-1-amine is sourced from PubChem (CID 176963032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).