1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine

C22H20F3N — CID 58915479

IUPAC1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
SMILESC/C(=N\CCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15H,6,8,14H2,1H3/b26-16+
InChIKeyQNMWBFJPJZFPRG-WGOQTCKBSA-N
MW355.40 g/mol
LogP6.30
Rot. Bonds5

About 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine

1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine (PubChem CID 58915479) has the molecular formula C22H20F3N and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine.

Molecular Properties

Compound Name1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
PubChem CID58915479
Molecular FormulaC22H20F3N
Molecular Weight355.40 g/mol
Exact Mass355.15
IUPAC Name1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine
SMILESC/C(=N\CCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12
InChIInChI=1S/C22H20F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15H,6,8,14H2,1H3/b26-16+
InChIKeyQNMWBFJPJZFPRG-WGOQTCKBSA-N
XLogP6.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.40
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine 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 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine?
The IUPAC name of 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine (CID 58915479) is 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine.
What is the SMILES notation for 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine?
The canonical SMILES for 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine is C/C(=N\CCCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine?
The InChIKey is QNMWBFJPJZFPRG-WGOQTCKBSA-N. The full InChI is InChI=1S/C22H20F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15H,6,8,14H2,1H3/b26-16+.
What are the key properties of 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine?
1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine has a molecular weight of 355.40 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-N-[3-[3-(trifluoromethyl)phenyl]propyl]ethanimine is sourced from PubChem (CID 58915479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).