N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine

C22H26F3NO2 — CID 23343925

IUPACN-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESCCCCCCC/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H26F3NO2/c1-2-3-4-5-6-15-26-16-18-7-11-20(12-8-18)27-17-19-9-13-21(14-10-19)28-22(23,24)25/h7-14,16H,2-6,15,17H2,1H3/b26-16+
InChIKeyPBGXCIRIOYTULR-WGOQTCKBSA-N
MW393.45 g/mol
LogP6.55
Rot. Bonds11

About N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine

N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (PubChem CID 23343925) has the molecular formula C22H26F3NO2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
PubChem CID23343925
Molecular FormulaC22H26F3NO2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC NameN-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESCCCCCCC/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C22H26F3NO2/c1-2-3-4-5-6-15-26-16-18-7-11-20(12-8-18)27-17-19-9-13-21(14-10-19)28-22(23,24)25/h7-14,16H,2-6,15,17H2,1H3/b26-16+
InChIKeyPBGXCIRIOYTULR-WGOQTCKBSA-N
XLogP6.55
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
N-butyl-1-[4-[(4-methylphenyl)methoxy]phenyl]methanimine;ethane
CID 145260574
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-dodecylmethanimine
CID 23343765
N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343809
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
N-decyl-1-[4-(decyliminomethyl)phenyl]methanimine
CID 101093995
N-hexadecyl-1-(4-methoxyphenyl)methanimine
CID 102417152
N-tetradecyl-1-[4-[(2,3,4-trimethylphenyl)methoxy]phenyl]methanimine
CID 70595513
[4-[7-[[4-(4-decoxybenzoyl)oxyphenyl]methylideneamino]heptyliminomethyl]phenyl] 4-decoxybenzoate
CID 102078858
1-(4-methylphenyl)-N-nonylmethanimine
CID 525728
N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343872
N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
CID 155686082

Frequently Asked Questions

What is the IUPAC name of N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (CID 23343925) is N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is CCCCCCC/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The InChIKey is PBGXCIRIOYTULR-WGOQTCKBSA-N. The full InChI is InChI=1S/C22H26F3NO2/c1-2-3-4-5-6-15-26-16-18-7-11-20(12-8-18)27-17-19-9-13-21(14-10-19)28-22(23,24)25/h7-14,16H,2-6,15,17H2,1H3/b26-16+.
What are the key properties of N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine has a molecular weight of 393.45 g/mol, XLogP of 6.55, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 23343925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).