4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine

C19H31NO — CID 12728946

IUPAC4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine
SMILESCC1OC(C)C(C)N(Cc2ccc(C(C)(C)C)cc2)C1C
InChIInChI=1S/C19H31NO/c1-13-15(3)21-16(4)14(2)20(13)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,13-16H,12H2,1-7H3
InChIKeyMZODJULDTNIBPD-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.37
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine

4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine (PubChem CID 12728946) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine
PubChem CID12728946
Molecular FormulaC19H31NO
Molecular Weight289.46 g/mol
Exact Mass289.24
IUPAC Name4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine
SMILESCC1OC(C)C(C)N(Cc2ccc(C(C)(C)C)cc2)C1C
InChIInChI=1S/C19H31NO/c1-13-15(3)21-16(4)14(2)20(13)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,13-16H,12H2,1-7H3
InChIKeyMZODJULDTNIBPD-UHFFFAOYSA-N
XLogP4.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1-[(4-tert-butylphenyl)methyl]-2-methylpiperidine-3-carboxylic acid
CID 122124631
1-[(4-tert-butylphenyl)methyl]-3,4-dimethylpyrrole
CID 114273370
4-[(4-tert-butylphenyl)methyl]-2,2,3,3,5,5,6,6-octadeuteriomorpholine
CID 140817252
(3S)-1-[(4-tert-butylphenyl)methyl]-3-methylpiperidine
CID 158164357
[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methanol
CID 66398893
1-tert-butyl-4-[(4-tert-butylphenyl)methyl]benzene;ethane
CID 144989068
1-tert-butyl-4-ethylbenzene
CID 157359507
[(2S)-1-[(4-tert-butylphenyl)methyl]pyrrolidin-2-yl]methanol
CID 42127618
(2S,5R)-2-[(4-tert-butylphenyl)methyl]-5-(2,2-dimethylpropyl)oxolane
CID 59476412
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
CID 162424412
CID 162424412
2-(4-tert-butylphenoxy)-3-methyloxirane
CID 154091421

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine (CID 12728946) is 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine is CC1OC(C)C(C)N(Cc2ccc(C(C)(C)C)cc2)C1C.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine?
The InChIKey is MZODJULDTNIBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13-15(3)21-16(4)14(2)20(13)12-17-8-10-18(11-9-17)19(5,6)7/h8-11,13-16H,12H2,1-7H3.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine?
4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine has a molecular weight of 289.46 g/mol, XLogP of 4.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-2,3,5,6-tetramethylmorpholine is sourced from PubChem (CID 12728946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).