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

C16H24BrNO3 — CID 82958644

IUPAC2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
SMILESCCOc1cc(CN2CC(C)OC(C)(C)C2)cc(Br)c1O
InChIInChI=1S/C16H24BrNO3/c1-5-20-14-7-12(6-13(17)15(14)19)9-18-8-11(2)21-16(3,4)10-18/h6-7,11,19H,5,8-10H2,1-4H3
InChIKeyUBTOMDHNCZOQAY-UHFFFAOYSA-N
MW358.28 g/mol
LogP3.55
Rot. Bonds4

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

2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol (PubChem CID 82958644) has the molecular formula C16H24BrNO3 and a molecular weight of 358.28 g/mol. Its IUPAC name is 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
PubChem CID82958644
Molecular FormulaC16H24BrNO3
Molecular Weight358.28 g/mol
Exact Mass357.09
IUPAC Name2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
SMILESCCOc1cc(CN2CC(C)OC(C)(C)C2)cc(Br)c1O
InChIInChI=1S/C16H24BrNO3/c1-5-20-14-7-12(6-13(17)15(14)19)9-18-8-11(2)21-16(3,4)10-18/h6-7,11,19H,5,8-10H2,1-4H3
InChIKeyUBTOMDHNCZOQAY-UHFFFAOYSA-N
XLogP3.55
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dimethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 78976743
4-bromo-2-methyl-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 112553577
2-bromo-4-[(2,3-dimethylpiperidin-1-yl)methyl]-6-ethoxyphenol
CID 82986221
N-[[4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methyl]ethanamine
CID 62435983
5-methoxy-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol
CID 82978872
N-[[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-2-yl]methyl]ethanamine
CID 62435098
[5-[(2,2,6-trimethylmorpholin-4-yl)methyl]furan-3-yl]methanamine
CID 62434742
2-bromo-6-methoxy-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)phenol
CID 82983263
4-(3-aminobutyl)-2-bromo-6-ethoxyphenol
CID 83954219
2-bromo-4-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-6-methoxyphenol
CID 110022595
2-bromo-6-methoxy-4-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenol
CID 102677741
N-methyl-1-[3-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenyl]methanamine
CID 62436863

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The IUPAC name of 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol (CID 82958644) is 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol.
What is the SMILES notation for 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The canonical SMILES for 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol is CCOc1cc(CN2CC(C)OC(C)(C)C2)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
The InChIKey is UBTOMDHNCZOQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO3/c1-5-20-14-7-12(6-13(17)15(14)19)9-18-8-11(2)21-16(3,4)10-18/h6-7,11,19H,5,8-10H2,1-4H3.
What are the key properties of 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol?
2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol has a molecular weight of 358.28 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethoxy-4-[(2,2,6-trimethylmorpholin-4-yl)methyl]phenol is sourced from PubChem (CID 82958644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).