N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine

C18H18F3NO2 — CID 155732807

IUPACN-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine
SMILESC=NOC(CC)c1ccc(C)c(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO2/c1-4-16(24-22-3)13-9-8-12(2)17(10-13)23-15-7-5-6-14(11-15)18(19,20)21/h5-11,16H,3-4H2,1-2H3
InChIKeyKTPDDOGZWFHHRX-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.89
Rot. Bonds6

About N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine

N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine (PubChem CID 155732807) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine.

Molecular Properties

Compound NameN-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine
PubChem CID155732807
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine
SMILESC=NOC(CC)c1ccc(C)c(Oc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C18H18F3NO2/c1-4-16(24-22-3)13-9-8-12(2)17(10-13)23-15-7-5-6-14(11-15)18(19,20)21/h5-11,16H,3-4H2,1-2H3
InChIKeyKTPDDOGZWFHHRX-UHFFFAOYSA-N
XLogP5.89
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Related Compounds

5-methyl-4-[3-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 155344405
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
3-chloro-5-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]-4,5-dihydro-1,2-oxazole
CID 155344344
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
1-[3-(trifluoromethyl)phenoxy]butan-2-amine
CID 11009853
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
4-methyl-5-[3-(trifluoromethyl)phenoxy]quinoline
CID 151866789
ethyl 3-[3-(trifluoromethyl)phenoxy]benzoate
CID 133056470
1-(2,2-dimethylpropoxy)-3-(trifluoromethyl)benzene
CID 18721654
5-methoxy-2-methyl-4-[2-methyl-6-[3-(trifluoromethyl)phenoxy]phenyl]-1,2,4-triazolidin-3-one
CID 67559004
5,6-dimethyl-1-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 71178034

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine?
The IUPAC name of N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine (CID 155732807) is N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine.
What is the SMILES notation for N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine?
The canonical SMILES for N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine is C=NOC(CC)c1ccc(C)c(Oc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine?
The InChIKey is KTPDDOGZWFHHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-4-16(24-22-3)13-9-8-12(2)17(10-13)23-15-7-5-6-14(11-15)18(19,20)21/h5-11,16H,3-4H2,1-2H3.
What are the key properties of N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine?
N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine has a molecular weight of 337.34 g/mol, XLogP of 5.89, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-methyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propoxy]methanimine is sourced from PubChem (CID 155732807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).