2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine

C15H20F3NO — CID 145436363

IUPAC2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
SMILESCC(C)C(=NOCc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H20F3NO/c1-10(2)14(11(3)4)19-20-9-12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11H,9H2,1-4H3
InChIKeyLKRRPCNWESFHOW-UHFFFAOYSA-N
MW287.32 g/mol
LogP4.89
Rot. Bonds5

About 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine

2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine (PubChem CID 145436363) has the molecular formula C15H20F3NO and a molecular weight of 287.32 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine.

Molecular Properties

Compound Name2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
PubChem CID145436363
Molecular FormulaC15H20F3NO
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine
SMILESCC(C)C(=NOCc1ccc(C(F)(F)F)cc1)C(C)C
InChIInChI=1S/C15H20F3NO/c1-10(2)14(11(3)4)19-20-9-12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11H,9H2,1-4H3
InChIKeyLKRRPCNWESFHOW-UHFFFAOYSA-N
XLogP4.89
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
3-methyl-1-[4-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butan-2-one
CID 123786679
(E)-1-[2,4-bis(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]propan-1-imine
CID 59021079
(E)-1-(4-prop-2-ynoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118954273
(E)-1-(3-ethylphenyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 22968889
2-[4-[C-ethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]butanoic acid
CID 87727879
3-methyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 21016485
2-[3-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenyl]phenyl]acetic acid
CID 59219227
(E)-1-[4-(triazol-2-ylmethoxy)phenyl]-N-[[4-(trifluoromethyl)phenyl]methoxy]ethanimine
CID 118248780
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]acetonitrile
CID 118238868
(E)-3-methyl-N-phenylmethoxybutan-2-imine
CID 89386199
4-[(E)-[4-(trifluoromethyl)phenyl]methoxyiminomethyl]phenol
CID 135580355

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine?
The IUPAC name of 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine (CID 145436363) is 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine.
What is the SMILES notation for 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine?
The canonical SMILES for 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine is CC(C)C(=NOCc1ccc(C(F)(F)F)cc1)C(C)C.
What is the InChIKey of 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine?
The InChIKey is LKRRPCNWESFHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO/c1-10(2)14(11(3)4)19-20-9-12-5-7-13(8-6-12)15(16,17)18/h5-8,10-11H,9H2,1-4H3.
What are the key properties of 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine?
2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine has a molecular weight of 287.32 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[4-(trifluoromethyl)phenyl]methoxy]pentan-3-imine is sourced from PubChem (CID 145436363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).