4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene

C21H26F3NO2 — CID 176686247

IUPAC4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(OC(F)(F)F)cc1.Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NO.C10H11F3O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-4,9H,5-8H2,1H3;4-7H,2-3H2,1H3
InChIKeyGXXSAYVOXKTITD-UHFFFAOYSA-N
MW381.44 g/mol
LogP5.37
Rot. Bonds4

About 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene

4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene (PubChem CID 176686247) has the molecular formula C21H26F3NO2 and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene
PubChem CID176686247
Molecular FormulaC21H26F3NO2
Molecular Weight381.44 g/mol
Exact Mass381.19
IUPAC Name4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene
SMILESCCCc1ccc(OC(F)(F)F)cc1.Cc1cccc(N2CCOCC2)c1
InChIInChI=1S/C11H15NO.C10H11F3O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-4,9H,5-8H2,1H3;4-7H,2-3H2,1H3
InChIKeyGXXSAYVOXKTITD-UHFFFAOYSA-N
XLogP5.37
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene (CID 176686247) is 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene is CCCc1ccc(OC(F)(F)F)cc1.Cc1cccc(N2CCOCC2)c1.
What is the InChIKey of 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene?
The InChIKey is GXXSAYVOXKTITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C10H11F3O/c1-10-3-2-4-11(9-10)12-5-7-13-8-6-12;1-2-3-8-4-6-9(7-5-8)14-10(11,12)13/h2-4,9H,5-8H2,1H3;4-7H,2-3H2,1H3.
What are the key properties of 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene?
4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene has a molecular weight of 381.44 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)morpholine;1-propyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 176686247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).