1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol

C15H22BrNO2 — CID 82970938

IUPAC1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2cc(Br)ccc2C(C)O)CC(C)(C)O1
InChIInChI=1S/C15H22BrNO2/c1-10-8-17(9-15(3,4)19-10)14-7-12(16)5-6-13(14)11(2)18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeySHPNVCLGQOSHPV-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.51
Rot. Bonds2

About 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol

1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol (PubChem CID 82970938) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol.

Molecular Properties

Compound Name1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
PubChem CID82970938
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
SMILESCC1CN(c2cc(Br)ccc2C(C)O)CC(C)(C)O1
InChIInChI=1S/C15H22BrNO2/c1-10-8-17(9-15(3,4)19-10)14-7-12(16)5-6-13(14)11(2)18/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeySHPNVCLGQOSHPV-UHFFFAOYSA-N
XLogP3.51
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]propan-2-amine
CID 63817747
1-[4-bromo-2-(3,3,4-trimethylpiperazin-1-yl)phenyl]ethanol
CID 82970873
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
5-bromo-2-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 114892979
(1R)-1-[4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 78940812
1-(4-bromo-2-piperidin-1-ylphenyl)ethanol
CID 82969107
(1S)-1-[2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanamine
CID 63368851
(1S)-1-[3-nitro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 78938359
4-[5-bromo-2-(1-hydroxyethyl)phenyl]morpholine-2-carbonitrile
CID 82971166
1-[5-bromo-2-(3,4-dimethylpyrrolidin-1-yl)phenyl]ethanol
CID 82971232
3-bromo-N'-hydroxy-4-(2,2,6-trimethylmorpholin-4-yl)benzenecarboximidamide
CID 82798646
1-[4-bromo-2-(3-phenylpyrrolidin-1-yl)phenyl]ethanol
CID 82957088

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The IUPAC name of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol (CID 82970938) is 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol.
What is the SMILES notation for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The canonical SMILES for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol is CC1CN(c2cc(Br)ccc2C(C)O)CC(C)(C)O1.
What is the InChIKey of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
The InChIKey is SHPNVCLGQOSHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-8-17(9-15(3,4)19-10)14-7-12(16)5-6-13(14)11(2)18/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol?
1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol has a molecular weight of 328.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol is sourced from PubChem (CID 82970938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).