(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine

C16H14F3NO — CID 44622996

IUPAC(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine
SMILESCO/N=C/c1c(C)cccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-11-5-3-8-14(15(11)10-20-21-2)12-6-4-7-13(9-12)16(17,18)19/h3-10H,1-2H3/b20-10+
InChIKeyQFQMAWRZQINPPY-KEBDBYFISA-N
MW293.29 g/mol
LogP4.66
Rot. Bonds3

About (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine

(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine (PubChem CID 44622996) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine
PubChem CID44622996
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine
SMILESCO/N=C/c1c(C)cccc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO/c1-11-5-3-8-14(15(11)10-20-21-2)12-6-4-7-13(9-12)16(17,18)19/h3-10H,1-2H3/b20-10+
InChIKeyQFQMAWRZQINPPY-KEBDBYFISA-N
XLogP4.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine?
The IUPAC name of (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine (CID 44622996) is (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine.
What is the SMILES notation for (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine?
The canonical SMILES for (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine is CO/N=C/c1c(C)cccc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine?
The InChIKey is QFQMAWRZQINPPY-KEBDBYFISA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11-5-3-8-14(15(11)10-20-21-2)12-6-4-7-13(9-12)16(17,18)19/h3-10H,1-2H3/b20-10+.
What are the key properties of (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine?
(E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine has a molecular weight of 293.29 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxy-1-[2-methyl-6-[3-(trifluoromethyl)phenyl]phenyl]methanimine is sourced from PubChem (CID 44622996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).