5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine

C15H20F3NO2 — CID 61250917

IUPAC5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine
SMILESCC(C)CC1COC(c2ccc(OC(F)(F)F)cc2)CN1
InChIInChI=1S/C15H20F3NO2/c1-10(2)7-12-9-20-14(8-19-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3
InChIKeyUTCPDYSKJGHHDP-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.66
Rot. Bonds4

About 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine

5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine (PubChem CID 61250917) has the molecular formula C15H20F3NO2 and a molecular weight of 303.32 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine
PubChem CID61250917
Molecular FormulaC15H20F3NO2
Molecular Weight303.32 g/mol
Exact Mass303.14
IUPAC Name5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine
SMILESCC(C)CC1COC(c2ccc(OC(F)(F)F)cc2)CN1
InChIInChI=1S/C15H20F3NO2/c1-10(2)7-12-9-20-14(8-19-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3
InChIKeyUTCPDYSKJGHHDP-UHFFFAOYSA-N
XLogP3.66
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-methylpropyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 61250695
6-methyl-2-[4-(trifluoromethoxy)phenyl]-1,4-oxazepane
CID 65034952
2-(4-bromo-2-fluorophenyl)-5-(2-methylpropyl)morpholine
CID 82970407
2-(4-tert-butylphenyl)-5-ethylmorpholine
CID 43366895
5-ethyl-2-(4-propylphenyl)morpholine
CID 43366877
(6-phenylmorpholin-3-yl)methanol
CID 84733084
5-methyl-2-[4-(trifluoromethyl)phenyl]morpholine
CID 43367137
(2R)-2-(4-propan-2-yloxyphenyl)oxirane
CID 30071232
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
[(2S,5R)-5-[4-(trifluoromethoxy)phenyl]oxolan-2-yl]methanol
CID 90074115
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
CID 82472844
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
CID 154810211

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine?
The IUPAC name of 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine (CID 61250917) is 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine.
What is the SMILES notation for 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine?
The canonical SMILES for 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine is CC(C)CC1COC(c2ccc(OC(F)(F)F)cc2)CN1.
What is the InChIKey of 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine?
The InChIKey is UTCPDYSKJGHHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NO2/c1-10(2)7-12-9-20-14(8-19-12)11-3-5-13(6-4-11)21-15(16,17)18/h3-6,10,12,14,19H,7-9H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine?
5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine has a molecular weight of 303.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-[4-(trifluoromethoxy)phenyl]morpholine is sourced from PubChem (CID 61250917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).