N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine

C21H16F3NO2 — CID 11046901

IUPACN-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/C=N/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-20-12-5-4-8-17(20)15-25-14-16-7-6-11-19(13-16)26-18-9-2-1-3-10-18/h1-13,15H,14H2/b25-15+
InChIKeyHLMJWEMAPQSWDT-MFKUBSTISA-N
MW371.36 g/mol
LogP6.00
Rot. Bonds6

About N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine

N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine (PubChem CID 11046901) has the molecular formula C21H16F3NO2 and a molecular weight of 371.36 g/mol. Its IUPAC name is N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine.

Molecular Properties

Compound NameN-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine
PubChem CID11046901
Molecular FormulaC21H16F3NO2
Molecular Weight371.36 g/mol
Exact Mass371.11
IUPAC NameN-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine
SMILESFC(F)(F)Oc1ccccc1/C=N/Cc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C21H16F3NO2/c22-21(23,24)27-20-12-5-4-8-17(20)15-25-14-16-7-6-11-19(13-16)26-18-9-2-1-3-10-18/h1-13,15H,14H2/b25-15+
InChIKeyHLMJWEMAPQSWDT-MFKUBSTISA-N
XLogP6.00
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.36
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(3-phenoxyphenyl)methyl]propan-1-imine
CID 23332476
4-[2-methyl-5-(3-phenoxyphenyl)pentan-2-yl]-1,2-bis(trifluoromethoxy)benzene
CID 21269700
1-phenylmethoxy-3-[3-(trifluoromethoxy)phenoxy]benzene
CID 20738781
1-phenoxy-3-[2-(3-phenoxyphenyl)ethyl]benzene
CID 3046200
4-[2-methyl-1-[(3-phenoxyphenyl)methylsulfanyl]propan-2-yl]-1,2-bis(trifluoromethoxy)benzene
CID 151960391
2-[(3-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 110915540
2-(3-phenoxyphenyl)-N-(trifluoromethyl)acetamide
CID 174660546
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
CID 163958367
CID 163958367
1-(trifluoromethoxy)-3-[[3-(trifluoromethoxy)phenyl]methyl]benzene
CID 87763466
(3-phenoxyphenyl)methylphosphane
CID 70930904
N-(4-phenoxyphenyl)-1-[3-(trifluoromethoxy)phenyl]methanimine
CID 10689667

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine?
The IUPAC name of N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine (CID 11046901) is N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine.
What is the SMILES notation for N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine?
The canonical SMILES for N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine is FC(F)(F)Oc1ccccc1/C=N/Cc1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine?
The InChIKey is HLMJWEMAPQSWDT-MFKUBSTISA-N. The full InChI is InChI=1S/C21H16F3NO2/c22-21(23,24)27-20-12-5-4-8-17(20)15-25-14-16-7-6-11-19(13-16)26-18-9-2-1-3-10-18/h1-13,15H,14H2/b25-15+.
What are the key properties of N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine?
N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine has a molecular weight of 371.36 g/mol, XLogP of 6.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenoxyphenyl)methyl]-1-[2-(trifluoromethoxy)phenyl]methanimine is sourced from PubChem (CID 11046901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).