N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine

C19H17F6N — CID 134838373

IUPACN-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
SMILESCCCCN=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F6N/c1-2-3-12-26-17(13-4-8-15(9-5-13)18(20,21)22)14-6-10-16(11-7-14)19(23,24)25/h4-11H,2-3,12H2,1H3
InChIKeyITROJRMFBSWZEF-UHFFFAOYSA-N
MW373.34 g/mol
LogP6.36
Rot. Bonds5

About N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine

N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 134838373) has the molecular formula C19H17F6N and a molecular weight of 373.34 g/mol. Its IUPAC name is N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
PubChem CID134838373
Molecular FormulaC19H17F6N
Molecular Weight373.34 g/mol
Exact Mass373.13
IUPAC NameN-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
SMILESCCCCN=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H17F6N/c1-2-3-12-26-17(13-4-8-15(9-5-13)18(20,21)22)14-6-10-16(11-7-14)19(23,24)25/h4-11H,2-3,12H2,1H3
InChIKeyITROJRMFBSWZEF-UHFFFAOYSA-N
XLogP6.36
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.34
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

Pyrazine, 2,3-dihydro-5,6-diphenyl-2-methyl-
CID 98291
Benzhydrylidene methylamine
CID 576539
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892271
1,2-Ethanediamine, N,N'-bis(1-phenylethylidene)-, (E,E)-
CID 11414406
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
2,3-Diphenyl-6,7-dihydro-5H-1,4-diazepine
CID 44563824
2-(benzhydrylideneamino)-N,N-dimethylethanamine
CID 12387838
3-(benzhydrylideneamino)-N,N-dimethylpropan-1-amine
CID 44342781
3-(4-Methylphenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563825
3-(4-Fluorophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563838
2,3-bis(4-methylphenyl)-6,7-dihydro-5H-1,4-diazepine
CID 44563890

Frequently Asked Questions

What is the IUPAC name of N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine (CID 134838373) is N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine is CCCCN=C(c1ccc(C(F)(F)F)cc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is ITROJRMFBSWZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N/c1-2-3-12-26-17(13-4-8-15(9-5-13)18(20,21)22)14-6-10-16(11-7-14)19(23,24)25/h4-11H,2-3,12H2,1H3.
What are the key properties of N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine?
N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 373.34 g/mol, XLogP of 6.36, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 134838373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).