4-(2,4-ditert-butylphenyl)morpholine

C18H29NO — CID 59709213

IUPAC4-(2,4-ditert-butylphenyl)morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-7-8-16(15(13-14)18(4,5)6)19-9-11-20-12-10-19/h7-8,13H,9-12H2,1-6H3
InChIKeyGJXSGIUNHNJEHV-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.12
Rot. Bonds1

About 4-(2,4-ditert-butylphenyl)morpholine

4-(2,4-ditert-butylphenyl)morpholine (PubChem CID 59709213) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-(2,4-ditert-butylphenyl)morpholine.

Molecular Properties

Compound Name4-(2,4-ditert-butylphenyl)morpholine
PubChem CID59709213
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-(2,4-ditert-butylphenyl)morpholine
SMILESCC(C)(C)c1ccc(N2CCOCC2)c(C(C)(C)C)c1
InChIInChI=1S/C18H29NO/c1-17(2,3)14-7-8-16(15(13-14)18(4,5)6)19-9-11-20-12-10-19/h7-8,13H,9-12H2,1-6H3
InChIKeyGJXSGIUNHNJEHV-UHFFFAOYSA-N
XLogP4.12
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-tert-butyl-2-(trifluoromethyl)phenyl]morpholine
CID 58525019
4-[4-tert-butyl-2-(difluoromethoxy)phenyl]morpholine
CID 121300583
4-(5-tert-butyl-2-propan-2-ylphenyl)morpholine
CID 176746640
1-[4-tert-butyl-2-(trifluoromethyl)phenyl]piperidine
CID 58412701
2-(5-fluoro-2-morpholin-4-ylphenyl)propan-2-ol
CID 117350892
5-tert-butyl-N-dimethoxyphosphinothioyl-2-morpholin-4-ylaniline
CID 70628951
4-[4-tert-butyl-2-(dimethoxyphosphorylamino)sulfanylphenyl]morpholine
CID 22758972
4-[4-ethyl-2-(trifluoromethyl)phenyl]morpholine
CID 70672464
3-(2-tert-butylsilyloxypropan-2-yl)-4-morpholin-4-ylaniline
CID 137328668
2-(4-fluoro-2-morpholin-4-ylphenyl)propan-2-amine
CID 117111920
trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
4-[2-methyl-4-(trifluoromethyl)phenyl]morpholine;N,N,2-trimethyl-4-(trifluoromethyl)aniline
CID 143086063

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-ditert-butylphenyl)morpholine?
The IUPAC name of 4-(2,4-ditert-butylphenyl)morpholine (CID 59709213) is 4-(2,4-ditert-butylphenyl)morpholine.
What is the SMILES notation for 4-(2,4-ditert-butylphenyl)morpholine?
The canonical SMILES for 4-(2,4-ditert-butylphenyl)morpholine is CC(C)(C)c1ccc(N2CCOCC2)c(C(C)(C)C)c1.
What is the InChIKey of 4-(2,4-ditert-butylphenyl)morpholine?
The InChIKey is GJXSGIUNHNJEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-17(2,3)14-7-8-16(15(13-14)18(4,5)6)19-9-11-20-12-10-19/h7-8,13H,9-12H2,1-6H3.
What are the key properties of 4-(2,4-ditert-butylphenyl)morpholine?
4-(2,4-ditert-butylphenyl)morpholine has a molecular weight of 275.44 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-ditert-butylphenyl)morpholine is sourced from PubChem (CID 59709213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).