N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine

C15H12F3N — CID 101453929

IUPACN-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine
SMILESCc1c(F)cc(F)c(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H12F3N/c1-10-12(15(18)14(17)7-13(10)16)9-19-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/b19-9+
InChIKeySAAWQKJEPLMWHB-DJKKODMXSA-N
MW263.26 g/mol
LogP4.03
Rot. Bonds3

About N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine

N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine (PubChem CID 101453929) has the molecular formula C15H12F3N and a molecular weight of 263.26 g/mol. Its IUPAC name is N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine.

Molecular Properties

Compound NameN-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine
PubChem CID101453929
Molecular FormulaC15H12F3N
Molecular Weight263.26 g/mol
Exact Mass263.09
IUPAC NameN-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine
SMILESCc1c(F)cc(F)c(F)c1/C=N/Cc1ccccc1
InChIInChI=1S/C15H12F3N/c1-10-12(15(18)14(17)7-13(10)16)9-19-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/b19-9+
InChIKeySAAWQKJEPLMWHB-DJKKODMXSA-N
XLogP4.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 76705
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N-benzylidene-2-phenylethanamine
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(E)-N-[4-(Trifluoromethyl)benzyl]-1-[4-(Trifluoromethyl)phenyl]methanimine
CID 71722599
(R)-N-(2,2-Difluoroethylidene)-1-phenylethylamine
CID 2758283
(3',5'-Difluoro-[1,1'-biphenyl]-2-YL)methanamine
CID 61025940
N-(2-fluorobenzylidene)(phenyl)methanamine
CID 44221747
5H-Dibenz(c,e)azepine
CID 6451520
1-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]methanimine
CID 16752924
2-Fluoro-N-((2-fluorophenyl)methylene)benzenemethanamine
CID 67464029
1H-isoindole
CID 597959
N-benzyl-1-[2-(trifluoromethyl)phenyl]methanimine oxide
CID 177614010

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine?
The IUPAC name of N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine (CID 101453929) is N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine.
What is the SMILES notation for N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine?
The canonical SMILES for N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine is Cc1c(F)cc(F)c(F)c1/C=N/Cc1ccccc1.
What is the InChIKey of N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine?
The InChIKey is SAAWQKJEPLMWHB-DJKKODMXSA-N. The full InChI is InChI=1S/C15H12F3N/c1-10-12(15(18)14(17)7-13(10)16)9-19-8-11-5-3-2-4-6-11/h2-7,9H,8H2,1H3/b19-9+.
What are the key properties of N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine?
N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine has a molecular weight of 263.26 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2,3,5-trifluoro-6-methylphenyl)methanimine is sourced from PubChem (CID 101453929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).