1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol

C20H33NO2 — CID 12768118

IUPAC1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol
SMILESCC1CN(CC(C)C(O)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C20H33NO2/c1-14(11-21-12-15(2)23-16(3)13-21)19(22)17-7-9-18(10-8-17)20(4,5)6/h7-10,14-16,19,22H,11-13H2,1-6H3
InChIKeyZWOOXCSPEKWQRT-UHFFFAOYSA-N
MW319.49 g/mol
LogP3.76
Rot. Bonds4

About 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol

1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol (PubChem CID 12768118) has the molecular formula C20H33NO2 and a molecular weight of 319.49 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol
PubChem CID12768118
Molecular FormulaC20H33NO2
Molecular Weight319.49 g/mol
Exact Mass319.25
IUPAC Name1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol
SMILESCC1CN(CC(C)C(O)c2ccc(C(C)(C)C)cc2)CC(C)O1
InChIInChI=1S/C20H33NO2/c1-14(11-21-12-15(2)23-16(3)13-21)19(22)17-7-9-18(10-8-17)20(4,5)6/h7-10,14-16,19,22H,11-13H2,1-6H3
InChIKeyZWOOXCSPEKWQRT-UHFFFAOYSA-N
XLogP3.76
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.49
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol (CID 12768118) is 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol is CC1CN(CC(C)C(O)c2ccc(C(C)(C)C)cc2)CC(C)O1.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol?
The InChIKey is ZWOOXCSPEKWQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33NO2/c1-14(11-21-12-15(2)23-16(3)13-21)19(22)17-7-9-18(10-8-17)20(4,5)6/h7-10,14-16,19,22H,11-13H2,1-6H3.
What are the key properties of 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol?
1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol has a molecular weight of 319.49 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2,6-dimethylmorpholin-4-yl)-2-methylpropan-1-ol is sourced from PubChem (CID 12768118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).