1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine

C23H26F3NO — CID 71137448

IUPAC1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1
InChIInChI=1S/C23H26F3NO/c1-16(2)28-22-18(11-8-12-19(22)17-9-4-3-5-10-17)15-27-21-14-7-6-13-20(21)23(24,25)26/h6-8,11-17H,3-5,9-10H2,1-2H3/b27-15+
InChIKeyAGVRFRDQGXPNKV-JFLMPSFJSA-N
MW389.46 g/mol
LogP7.29
Rot. Bonds5

About 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine

1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 71137448) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID71137448
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC Name1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESCC(C)Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1
InChIInChI=1S/C23H26F3NO/c1-16(2)28-22-18(11-8-12-19(22)17-9-4-3-5-10-17)15-27-21-14-7-6-13-20(21)23(24,25)26/h6-8,11-17H,3-5,9-10H2,1-2H3/b27-15+
InChIKeyAGVRFRDQGXPNKV-JFLMPSFJSA-N
XLogP7.29
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 71137448) is 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is CC(C)Oc1c(/C=N/c2ccccc2C(F)(F)F)cccc1C1CCCCC1.
What is the InChIKey of 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is AGVRFRDQGXPNKV-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H26F3NO/c1-16(2)28-22-18(11-8-12-19(22)17-9-4-3-5-10-17)15-27-21-14-7-6-13-20(21)23(24,25)26/h6-8,11-17H,3-5,9-10H2,1-2H3/b27-15+.
What are the key properties of 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 389.46 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-2-propan-2-yloxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 71137448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).