2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine

C15H16F3N3 — CID 141265995

IUPAC2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccc2c3c(cnc2c1)CCCN3
InChIInChI=1S/C15H16F3N3/c16-15(17,18)9-19-7-10-3-4-12-13(6-10)21-8-11-2-1-5-20-14(11)12/h3-4,6,8,19-20H,1-2,5,7,9H2
InChIKeyXUQMMDOKCJPGFE-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.24
Rot. Bonds3

About 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine

2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine (PubChem CID 141265995) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine
PubChem CID141265995
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine
SMILESFC(F)(F)CNCc1ccc2c3c(cnc2c1)CCCN3
InChIInChI=1S/C15H16F3N3/c16-15(17,18)9-19-7-10-3-4-12-13(6-10)21-8-11-2-1-5-20-14(11)12/h3-4,6,8,19-20H,1-2,5,7,9H2
InChIKeyXUQMMDOKCJPGFE-UHFFFAOYSA-N
XLogP3.24
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine 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 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine (CID 141265995) is 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine is FC(F)(F)CNCc1ccc2c3c(cnc2c1)CCCN3.
What is the InChIKey of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine?
The InChIKey is XUQMMDOKCJPGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c16-15(17,18)9-19-7-10-3-4-12-13(6-10)21-8-11-2-1-5-20-14(11)12/h3-4,6,8,19-20H,1-2,5,7,9H2.
What are the key properties of 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine?
2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine has a molecular weight of 295.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridin-8-ylmethyl)ethanamine is sourced from PubChem (CID 141265995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).