(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine

C23H25ClF3NO — CID 88957366

IUPAC(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(C2CCCCC2)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C23H25ClF3NO/c1-2-22(20-14-19(24)12-13-21(20)23(25,26)27)28-29-15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-14,17H,2-7,15H2,1H3/b28-22+
InChIKeySMUZCMMBFSWPSS-XAYXJRQQSA-N
MW423.91 g/mol
LogP7.74
Rot. Bonds6

About (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine

(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine (PubChem CID 88957366) has the molecular formula C23H25ClF3NO and a molecular weight of 423.91 g/mol. Its IUPAC name is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine.

Molecular Properties

Compound Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine
PubChem CID88957366
Molecular FormulaC23H25ClF3NO
Molecular Weight423.91 g/mol
Exact Mass423.16
IUPAC Name(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine
SMILESCC/C(=N\OCc1ccc(C2CCCCC2)cc1)c1cc(Cl)ccc1C(F)(F)F
InChIInChI=1S/C23H25ClF3NO/c1-2-22(20-14-19(24)12-13-21(20)23(25,26)27)28-29-15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-14,17H,2-7,15H2,1H3/b28-22+
InChIKeySMUZCMMBFSWPSS-XAYXJRQQSA-N
XLogP7.74
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.91
LogP ≤ 57.74
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine?
The IUPAC name of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine (CID 88957366) is (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine.
What is the SMILES notation for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine?
The canonical SMILES for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine is CC/C(=N\OCc1ccc(C2CCCCC2)cc1)c1cc(Cl)ccc1C(F)(F)F.
What is the InChIKey of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine?
The InChIKey is SMUZCMMBFSWPSS-XAYXJRQQSA-N. The full InChI is InChI=1S/C23H25ClF3NO/c1-2-22(20-14-19(24)12-13-21(20)23(25,26)27)28-29-15-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h8-14,17H,2-7,15H2,1H3/b28-22+.
What are the key properties of (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine?
(E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine has a molecular weight of 423.91 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[5-chloro-2-(trifluoromethyl)phenyl]-N-[(4-cyclohexylphenyl)methoxy]propan-1-imine is sourced from PubChem (CID 88957366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).