1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine

C16H14F3N — CID 134883921

IUPAC1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine
SMILESFC(F)(F)c1cccc(CC/N=C/c2ccccc2)c1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15-8-4-7-13(11-15)9-10-20-12-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2/b20-12+
InChIKeyRZZFMVMPZYMYEM-UDWIEESQSA-N
MW277.29 g/mol
LogP4.37
Rot. Bonds4

About 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine

1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine (PubChem CID 134883921) has the molecular formula C16H14F3N and a molecular weight of 277.29 g/mol. Its IUPAC name is 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine
PubChem CID134883921
Molecular FormulaC16H14F3N
Molecular Weight277.29 g/mol
Exact Mass277.11
IUPAC Name1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine
SMILESFC(F)(F)c1cccc(CC/N=C/c2ccccc2)c1
InChIInChI=1S/C16H14F3N/c17-16(18,19)15-8-4-7-13(11-15)9-10-20-12-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2/b20-12+
InChIKeyRZZFMVMPZYMYEM-UDWIEESQSA-N
XLogP4.37
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Benzylidenebenzylamine
CID 95831
N-benzylidene-2-phenylethanamine
CID 576350
(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
Phenethylamine, N-(2,2,3,3,4,4,4-heptafluorobutylidene)-
CID 563360
Phenethylamine, N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctylidene)-
CID 564143
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,7,8,12b-tetrahydro-
CID 202158
N,N'-Bis-(4-fluorobenzylidene)-ethylenediamine
CID 3300350
N-(2-methyl-1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892271
N-(1-phenylpropan-2-yl)-1-[4-(trifluoromethyl)phenyl]methanimine oxide
CID 24892270
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine?
The IUPAC name of 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine (CID 134883921) is 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine.
What is the SMILES notation for 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine?
The canonical SMILES for 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine is FC(F)(F)c1cccc(CC/N=C/c2ccccc2)c1.
What is the InChIKey of 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine?
The InChIKey is RZZFMVMPZYMYEM-UDWIEESQSA-N. The full InChI is InChI=1S/C16H14F3N/c17-16(18,19)15-8-4-7-13(11-15)9-10-20-12-14-5-2-1-3-6-14/h1-8,11-12H,9-10H2/b20-12+.
What are the key properties of 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine?
1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine has a molecular weight of 277.29 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanimine is sourced from PubChem (CID 134883921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).