N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine

C19H20F3NO2 — CID 23343809

IUPACN-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESCCC(C)/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-14(2)23-12-15-4-8-17(9-5-15)24-13-16-6-10-18(11-7-16)25-19(20,21)22/h4-12,14H,3,13H2,1-2H3/b23-12+
InChIKeyZORZJZKTNFVCBO-FSJBWODESA-N
MW351.37 g/mol
LogP5.38
Rot. Bonds7

About N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine

N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (PubChem CID 23343809) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.

Molecular Properties

Compound NameN-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
PubChem CID23343809
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC NameN-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
SMILESCCC(C)/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C19H20F3NO2/c1-3-14(2)23-12-15-4-8-17(9-5-15)24-13-16-6-10-18(11-7-16)25-19(20,21)22/h4-12,14H,3,13H2,1-2H3/b23-12+
InChIKeyZORZJZKTNFVCBO-FSJBWODESA-N
XLogP5.38
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.37
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343953
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
N-heptyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343925
N-hexyl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine
CID 23343830
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
4-methyl-1-[[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methylideneamino]imidazol-2-amine
CID 168629130
1-(propan-2-yloxymethyl)-4-(trifluoromethoxy)benzene
CID 91726745
1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]ethanone
CID 52561273
1-(3-methylbutyl)-4-(trifluoromethoxy)benzene
CID 129296221
N-(2,2-difluoropropyl)-1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]methanimine
CID 155686082
N-(2-ethylhexyl)-1-[4-[(4-fluorophenyl)methoxy]phenyl]methanimine
CID 23343872
3-(1-phenylethoxymethyl)-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzaldehyde
CID 142275472

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The IUPAC name of N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine (CID 23343809) is N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine.
What is the SMILES notation for N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The canonical SMILES for N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is CCC(C)/N=C/c1ccc(OCc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
The InChIKey is ZORZJZKTNFVCBO-FSJBWODESA-N. The full InChI is InChI=1S/C19H20F3NO2/c1-3-14(2)23-12-15-4-8-17(9-5-15)24-13-16-6-10-18(11-7-16)25-19(20,21)22/h4-12,14H,3,13H2,1-2H3/b23-12+.
What are the key properties of N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine?
N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine has a molecular weight of 351.37 g/mol, XLogP of 5.38, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[4-[[4-(trifluoromethoxy)phenyl]methoxy]phenyl]methanimine is sourced from PubChem (CID 23343809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).