2-(4-tert-butyl-2,6-dimethylphenyl)morpholine

C16H25NO — CID 82296070

IUPAC2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
SMILESCc1cc(C(C)(C)C)cc(C)c1C1CNCCO1
InChIInChI=1S/C16H25NO/c1-11-8-13(16(3,4)5)9-12(2)15(11)14-10-17-6-7-18-14/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyTVRBTDPCXVWMFI-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.26
Rot. Bonds1

About 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine

2-(4-tert-butyl-2,6-dimethylphenyl)morpholine (PubChem CID 82296070) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine.

Molecular Properties

Compound Name2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
PubChem CID82296070
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name2-(4-tert-butyl-2,6-dimethylphenyl)morpholine
SMILESCc1cc(C(C)(C)C)cc(C)c1C1CNCCO1
InChIInChI=1S/C16H25NO/c1-11-8-13(16(3,4)5)9-12(2)15(11)14-10-17-6-7-18-14/h8-9,14,17H,6-7,10H2,1-5H3
InChIKeyTVRBTDPCXVWMFI-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2,5-dimethyl-6-morpholin-2-ylphenol
CID 115004627
2-(2-bromo-3,6-dimethylphenyl)morpholine
CID 84808936
2-(3-bromo-2-methoxy-4,6-dimethylphenyl)morpholine
CID 117483768
2-(2,4-dimethoxy-3,6-dimethylphenyl)morpholine
CID 117381769
2-(4-chloro-2,3-dimethoxy-6-methylphenyl)morpholine
CID 117432137
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117392145
2-(4-bromo-6-methyl-1,3-benzodioxol-5-yl)morpholine
CID 117483006
(2R)-2-(5-methyl-1H-pyrazol-3-yl)morpholine
CID 96740317
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-chloro-6-methyl-4-morpholin-2-ylphenol
CID 84791758

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine?
The IUPAC name of 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine (CID 82296070) is 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine.
What is the SMILES notation for 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine?
The canonical SMILES for 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine is Cc1cc(C(C)(C)C)cc(C)c1C1CNCCO1.
What is the InChIKey of 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine?
The InChIKey is TVRBTDPCXVWMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-8-13(16(3,4)5)9-12(2)15(11)14-10-17-6-7-18-14/h8-9,14,17H,6-7,10H2,1-5H3.
What are the key properties of 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine?
2-(4-tert-butyl-2,6-dimethylphenyl)morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butyl-2,6-dimethylphenyl)morpholine is sourced from PubChem (CID 82296070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).