3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine

C16H25NO — CID 82296029

IUPAC3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine
SMILESCc1cc(C)c(C)c(C2COCC(C)(C)N2)c1C
InChIInChI=1S/C16H25NO/c1-10-7-11(2)13(4)15(12(10)3)14-8-18-9-16(5,6)17-14/h7,14,17H,8-9H2,1-6H3
InChIKeyTZKDEGYKXMVNHM-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.36
Rot. Bonds1

About 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine

3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine (PubChem CID 82296029) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine
PubChem CID82296029
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine
SMILESCc1cc(C)c(C)c(C2COCC(C)(C)N2)c1C
InChIInChI=1S/C16H25NO/c1-10-7-11(2)13(4)15(12(10)3)14-8-18-9-16(5,6)17-14/h7,14,17H,8-9H2,1-6H3
InChIKeyTZKDEGYKXMVNHM-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2,4-dimethylphenyl)-3,3-dimethylmorpholine
CID 82285994
5-(2-methoxy-4,5-dimethylphenyl)-3,3-dimethylmorpholine
CID 82297036
3,3-dimethyl-5-(2-methyl-1H-indol-3-yl)morpholine
CID 82294419
5-(4-methoxy-2,3-dimethylphenyl)-3,3-dimethylmorpholine
CID 82297113
5-(4-bromophenyl)-3,3-dimethylmorpholine
CID 82305856
5-(2-methoxy-5-methylphenyl)-3,3-dimethylmorpholine
CID 82291209
5-(2,4-difluorophenyl)-3,3-dimethylmorpholine
CID 82287932
3,3-dimethyl-5-(1-methylpyrrol-3-yl)morpholine
CID 82281820
2-(2,3,5,6-tetramethylphenyl)oxirane
CID 82074918
5-[(2,5-dimethylphenyl)methyl]-3,3-dimethylmorpholine
CID 116817401
3-(2,3,5,6-tetramethylphenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 116837220
5-(2,2-diphenylethyl)-3,3-dimethylmorpholine
CID 10357167

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine?
The IUPAC name of 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine (CID 82296029) is 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine?
The canonical SMILES for 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine is Cc1cc(C)c(C)c(C2COCC(C)(C)N2)c1C.
What is the InChIKey of 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine?
The InChIKey is TZKDEGYKXMVNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-10-7-11(2)13(4)15(12(10)3)14-8-18-9-16(5,6)17-14/h7,14,17H,8-9H2,1-6H3.
What are the key properties of 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine?
3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine has a molecular weight of 247.38 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(2,3,5,6-tetramethylphenyl)morpholine is sourced from PubChem (CID 82296029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).