6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine

C18H16F3NO — CID 2818136

IUPAC6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC/C2=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO/c1-23-13-9-10-14-12(11-13)5-4-8-16(14)22-17-7-3-2-6-15(17)18(19,20)21/h2-3,6-7,9-11H,4-5,8H2,1H3/b22-16+
InChIKeyQLVSBOUXFHTQHA-CJLVFECKSA-N
MW319.33 g/mol
LogP5.17
Rot. Bonds2

About 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine

6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (PubChem CID 2818136) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.

Molecular Properties

Compound Name6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
PubChem CID2818136
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine
SMILESCOc1ccc2c(c1)CCC/C2=N\c1ccccc1C(F)(F)F
InChIInChI=1S/C18H16F3NO/c1-23-13-9-10-14-12(11-13)5-4-8-16(14)22-17-7-3-2-6-15(17)18(19,20)21/h2-3,6-7,9-11H,4-5,8H2,1H3/b22-16+
InChIKeyQLVSBOUXFHTQHA-CJLVFECKSA-N
XLogP5.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine (CID 2818136) is 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine.
What is the SMILES notation for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The canonical SMILES for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is COc1ccc2c(c1)CCC/C2=N\c1ccccc1C(F)(F)F.
What is the InChIKey of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
The InChIKey is QLVSBOUXFHTQHA-CJLVFECKSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-23-13-9-10-14-12(11-13)5-4-8-16(14)22-17-7-3-2-6-15(17)18(19,20)21/h2-3,6-7,9-11H,4-5,8H2,1H3/b22-16+.
What are the key properties of 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine?
6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine has a molecular weight of 319.33 g/mol, XLogP of 5.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-naphthalen-1-imine is sourced from PubChem (CID 2818136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).