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

C17H16F3N — CID 134883922

IUPAC1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine
SMILESCC(Cc1cccc(C(F)(F)F)c1)/N=C/c1ccccc1
InChIInChI=1S/C17H16F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11-13H,10H2,1H3/b21-12+
InChIKeyDASAYYQQBBTOFX-CIAFOILYSA-N
MW291.32 g/mol
LogP4.76
Rot. Bonds4

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

1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine (PubChem CID 134883922) has the molecular formula C17H16F3N and a molecular weight of 291.32 g/mol. Its IUPAC name is 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine.

Molecular Properties

Compound Name1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine
PubChem CID134883922
Molecular FormulaC17H16F3N
Molecular Weight291.32 g/mol
Exact Mass291.12
IUPAC Name1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine
SMILESCC(Cc1cccc(C(F)(F)F)c1)/N=C/c1ccccc1
InChIInChI=1S/C17H16F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11-13H,10H2,1H3/b21-12+
InChIKeyDASAYYQQBBTOFX-CIAFOILYSA-N
XLogP4.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 54.76
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-Benzylidenecyclohexylamine
CID 75167
N-benzylidene-2-phenylethanamine
CID 576350
N-Benzylidene-N-(diphenylmethyl)amine
CID 5461747
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-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
N-(2-methyl-1-phenylpropan-2-yl)-1-phenylmethanimine oxide
CID 24892272
N-benzyl-1-[3-(trifluoromethyl)phenyl]methanimine oxide
CID 177656421
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
N-benzhydryl-1-(4-fluorophenyl)methanimine
CID 10935135
N-cyclohexyl-1-(4-fluorophenyl)methanimine
CID 12194300
1-(4-Fluorophenyl)-5-methyl-3,4-dihydroisoquinoline
CID 12851822

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine?
The IUPAC name of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine (CID 134883922) is 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine.
What is the SMILES notation for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine?
The canonical SMILES for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine is CC(Cc1cccc(C(F)(F)F)c1)/N=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine?
The InChIKey is DASAYYQQBBTOFX-CIAFOILYSA-N. The full InChI is InChI=1S/C17H16F3N/c1-13(21-12-14-6-3-2-4-7-14)10-15-8-5-9-16(11-15)17(18,19)20/h2-9,11-13H,10H2,1H3/b21-12+.
What are the key properties of 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine?
1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine has a molecular weight of 291.32 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[3-(trifluoromethyl)phenyl]propan-2-yl]methanimine is sourced from PubChem (CID 134883922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).