4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol

C15H22BrNO2 — CID 112553577

IUPAC4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
SMILESCc1cc(Br)cc(CN2CC(C)OC(C)(C)C2)c1O
InChIInChI=1S/C15H22BrNO2/c1-10-5-13(16)6-12(14(10)18)8-17-7-11(2)19-15(3,4)9-17/h5-6,11,18H,7-9H2,1-4H3
InChIKeyZNJXTQPAMHMZNF-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.46
Rot. Bonds2

About 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol

4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol (PubChem CID 112553577) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
PubChem CID112553577
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
SMILESCc1cc(Br)cc(CN2CC(C)OC(C)(C)C2)c1O
InChIInChI=1S/C15H22BrNO2/c1-10-5-13(16)6-12(14(10)18)8-17-7-11(2)19-15(3,4)9-17/h5-6,11,18H,7-9H2,1-4H3
InChIKeyZNJXTQPAMHMZNF-UHFFFAOYSA-N
XLogP3.46
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 ≤ 53.46
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-methyl-6-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenol
CID 112553630
2,6-dimethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 78976743
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
4-bromo-2-methyl-6-[(4-propylpiperazin-1-yl)methyl]phenol
CID 112553308
4-bromo-2-[(2-ethylmorpholin-4-yl)methyl]-6-methylphenol
CID 112553400
2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82958644
N-[[5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]thiophen-2-yl]methyl]ethanamine
CID 80728050
4-bromo-2-[(4-ethylpiperazin-1-yl)methyl]-6-methylphenol
CID 112553312
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylmethyl)-4-bromo-6-methylphenol
CID 115903877
5-methyl-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-carbohydrazide
CID 63583647
4-bromo-2-methyl-6-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)azetidin-1-yl]methyl]phenol
CID 154772265
4-bromo-2-methyl-6-[(4-propan-2-ylpiperazin-1-yl)methyl]phenol
CID 112553412

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol (CID 112553577) is 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol is Cc1cc(Br)cc(CN2CC(C)OC(C)(C)C2)c1O.
What is the InChIKey of 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is ZNJXTQPAMHMZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-10-5-13(16)6-12(14(10)18)8-17-7-11(2)19-15(3,4)9-17/h5-6,11,18H,7-9H2,1-4H3.
What are the key properties of 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 328.25 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 112553577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).