N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine

C15H20F3N — CID 155275361

IUPACN-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
SMILESCCCCCC/C(=N\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-3-4-5-6-7-14(19-2)12-8-10-13(11-9-12)15(16,17)18/h8-11H,3-7H2,1-2H3/b19-14+
InChIKeyRECZAHJEMWOJKA-XMHGGMMESA-N
MW271.33 g/mol
LogP5.09
Rot. Bonds6

About N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine

N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine (PubChem CID 155275361) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine.

Molecular Properties

Compound NameN-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
PubChem CID155275361
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine
SMILESCCCCCC/C(=N\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H20F3N/c1-3-4-5-6-7-14(19-2)12-8-10-13(11-9-12)15(16,17)18/h8-11H,3-7H2,1-2H3/b19-14+
InChIKeyRECZAHJEMWOJKA-XMHGGMMESA-N
XLogP5.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.33
LogP ≤ 55.09
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'}

Analyze N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 11459571
1-[(E)-1,2-dibromohept-1-enyl]-4-(trifluoromethyl)benzene
CID 101198648
1-[4-[[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]hexan-1-one
CID 129088557
[[phenyl-[4-(trifluoromethyl)phenyl]methylidene]amino] heptanoate
CID 154134609
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
4-[(Z)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 136661885
4-[(E)-N-hydroxy-C-undecylcarbonimidoyl]phenol
CID 135822572
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
1-[4-(trifluoromethyl)phenyl]non-2-yn-1-one
CID 102169250
[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl] octanoate
CID 102169469
N-methyl-4-(trifluoromethyl)benzenecarboximidate
CID 58832425

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine?
The IUPAC name of N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine (CID 155275361) is N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine.
What is the SMILES notation for N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine?
The canonical SMILES for N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine is CCCCCC/C(=N\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine?
The InChIKey is RECZAHJEMWOJKA-XMHGGMMESA-N. The full InChI is InChI=1S/C15H20F3N/c1-3-4-5-6-7-14(19-2)12-8-10-13(11-9-12)15(16,17)18/h8-11H,3-7H2,1-2H3/b19-14+.
What are the key properties of N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine?
N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine has a molecular weight of 271.33 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-(trifluoromethyl)phenyl]heptan-1-imine is sourced from PubChem (CID 155275361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).