4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol

C16H24BrNO2 — CID 102746762

IUPAC4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol
SMILESCC(c1cc(Br)ccc1O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H24BrNO2/c1-11(13-8-12(17)6-7-14(13)19)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3
InChIKeyGDTPCNAOKYHACR-UHFFFAOYSA-N
MW342.28 g/mol
LogP4.11
Rot. Bonds2

About 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol

4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol (PubChem CID 102746762) has the molecular formula C16H24BrNO2 and a molecular weight of 342.28 g/mol. Its IUPAC name is 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol.

Molecular Properties

Compound Name4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol
PubChem CID102746762
Molecular FormulaC16H24BrNO2
Molecular Weight342.28 g/mol
Exact Mass341.10
IUPAC Name4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol
SMILESCC(c1cc(Br)ccc1O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C16H24BrNO2/c1-11(13-8-12(17)6-7-14(13)19)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3
InChIKeyGDTPCNAOKYHACR-UHFFFAOYSA-N
XLogP4.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-(1-pyrrolidin-1-ylethyl)phenol
CID 82974943
4-bromo-2-[1-(4-cyclopentylpiperazin-1-yl)ethyl]phenol
CID 82959216
4-bromo-2-[1-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]phenol
CID 82962422
4-bromo-2-[1-(4-ethoxypiperidin-1-yl)ethyl]phenol
CID 82982029
4-bromo-2-[1-(4-ethylazepan-1-yl)ethyl]phenol
CID 82981102
4-bromo-2-[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]phenol
CID 82981094
(2-amino-5-bromophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102744843
(5-bromo-2-fluorophenyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743982
2-[1-(2,2,6-trimethylmorpholin-4-yl)ethyl]phenol
CID 82979016
4-chloro-2-[1-(4-propan-2-ylpiperazin-1-yl)ethyl]phenol
CID 82976879
4-bromo-2-[(1R)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171285515
4-bromo-2-[1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phenol
CID 82958799

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol?
The IUPAC name of 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol (CID 102746762) is 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol.
What is the SMILES notation for 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol?
The canonical SMILES for 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol is CC(c1cc(Br)ccc1O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol?
The InChIKey is GDTPCNAOKYHACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2/c1-11(13-8-12(17)6-7-14(13)19)18-9-15(2,3)20-16(4,5)10-18/h6-8,11,19H,9-10H2,1-5H3.
What are the key properties of 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol?
4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol has a molecular weight of 342.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[1-(2,2,6,6-tetramethylmorpholin-4-yl)ethyl]phenol is sourced from PubChem (CID 102746762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).