N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine

C20H23F3N2 — CID 19771560

IUPACN-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine
SMILESFC(F)(F)c1ccc2ccc(CN/C3=N/CCCCCCC3)cc2c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-10-9-16-8-7-15(12-17(16)13-18)14-25-19-6-4-2-1-3-5-11-24-19/h7-10,12-13H,1-6,11,14H2,(H,24,25)
InChIKeyVXVUJRFPMODEFA-UHFFFAOYSA-N
MW348.41 g/mol
LogP5.70
Rot. Bonds2

About N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine

N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine (PubChem CID 19771560) has the molecular formula C20H23F3N2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine.

Molecular Properties

Compound NameN-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine
PubChem CID19771560
Molecular FormulaC20H23F3N2
Molecular Weight348.41 g/mol
Exact Mass348.18
IUPAC NameN-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine
SMILESFC(F)(F)c1ccc2ccc(CN/C3=N/CCCCCCC3)cc2c1
InChIInChI=1S/C20H23F3N2/c21-20(22,23)18-10-9-16-8-7-15(12-17(16)13-18)14-25-19-6-4-2-1-3-5-11-24-19/h7-10,12-13H,1-6,11,14H2,(H,24,25)
InChIKeyVXVUJRFPMODEFA-UHFFFAOYSA-N
XLogP5.70
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.41
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine?
The IUPAC name of N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine (CID 19771560) is N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine.
What is the SMILES notation for N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine?
The canonical SMILES for N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine is FC(F)(F)c1ccc2ccc(CN/C3=N/CCCCCCC3)cc2c1.
What is the InChIKey of N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine?
The InChIKey is VXVUJRFPMODEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2/c21-20(22,23)18-10-9-16-8-7-15(12-17(16)13-18)14-25-19-6-4-2-1-3-5-11-24-19/h7-10,12-13H,1-6,11,14H2,(H,24,25).
What are the key properties of N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine?
N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine has a molecular weight of 348.41 g/mol, XLogP of 5.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(trifluoromethyl)naphthalen-2-yl]methyl]-3,4,5,6,7,8-hexahydro-2H-azonin-9-amine is sourced from PubChem (CID 19771560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).