N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine

C18H18F3N — CID 135280715

IUPACN-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\c1ccccc1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-3-7-17(22-16-11-5-4-8-13(16)2)14-9-6-10-15(12-14)18(19,20)21/h4-6,8-12H,3,7H2,1-2H3/b22-17+
InChIKeyNWISMHNXXSOBKR-OQKWZONESA-N
MW305.34 g/mol
LogP5.93
Rot. Bonds4

About N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine

N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine (PubChem CID 135280715) has the molecular formula C18H18F3N and a molecular weight of 305.34 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine
PubChem CID135280715
Molecular FormulaC18H18F3N
Molecular Weight305.34 g/mol
Exact Mass305.14
IUPAC NameN-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine
SMILESCCC/C(=N\c1ccccc1C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N/c1-3-7-17(22-16-11-5-4-8-13(16)2)14-9-6-10-15(12-14)18(19,20)21/h4-6,8-12H,3,7H2,1-2H3/b22-17+
InChIKeyNWISMHNXXSOBKR-OQKWZONESA-N
XLogP5.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.34
LogP ≤ 55.93
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

3-(2-methylnaphthalen-1-yl)-2-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 54553871
3-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-one
CID 24725641
2-methylhexane;1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 142809248
N-[1-(2-ethyl-4-hydroxy-6-methylphenoxy)propyl]-3-(trifluoromethyl)benzamide
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(2-fluoro-3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 114970263
N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
N-methoxy-1-[3-(trifluoromethyl)phenyl]ethenamine
CID 56978932
2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 24724049
2-phenylmethoxyimino-2-[3-(trifluoromethyl)phenyl]ethanol
CID 150361849
1-(4-ethylphenyl)-3-[3-(trifluoromethyl)phenyl]propane-1,3-dione
CID 22947144
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
3,9-dibenzhydrylidene-6,12-bis[bis[3-(trifluoromethyl)phenyl]methylidene]cyclododeca-1,4,7,10-tetrayne
CID 102229847

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine?
The IUPAC name of N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine (CID 135280715) is N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine.
What is the SMILES notation for N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine?
The canonical SMILES for N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine is CCC/C(=N\c1ccccc1C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine?
The InChIKey is NWISMHNXXSOBKR-OQKWZONESA-N. The full InChI is InChI=1S/C18H18F3N/c1-3-7-17(22-16-11-5-4-8-13(16)2)14-9-6-10-15(12-14)18(19,20)21/h4-6,8-12H,3,7H2,1-2H3/b22-17+.
What are the key properties of N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine?
N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine has a molecular weight of 305.34 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-[3-(trifluoromethyl)phenyl]butan-1-imine is sourced from PubChem (CID 135280715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).