2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol

C13H20BrNO3 — CID 115671303

IUPAC2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
SMILESCOc1cc(CNCC(C)(C)OC)cc(Br)c1O
InChIInChI=1S/C13H20BrNO3/c1-13(2,18-4)8-15-7-9-5-10(14)12(16)11(6-9)17-3/h5-6,15-16H,7-8H2,1-4H3
InChIKeyKFJRFVZXQWVYGI-UHFFFAOYSA-N
MW318.21 g/mol
LogP2.68
Rot. Bonds6

About 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol

2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol (PubChem CID 115671303) has the molecular formula C13H20BrNO3 and a molecular weight of 318.21 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
PubChem CID115671303
Molecular FormulaC13H20BrNO3
Molecular Weight318.21 g/mol
Exact Mass317.06
IUPAC Name2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
SMILESCOc1cc(CNCC(C)(C)OC)cc(Br)c1O
InChIInChI=1S/C13H20BrNO3/c1-13(2,18-4)8-15-7-9-5-10(14)12(16)11(6-9)17-3/h5-6,15-16H,7-8H2,1-4H3
InChIKeyKFJRFVZXQWVYGI-UHFFFAOYSA-N
XLogP2.68
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.21
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104625173
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
2-bromo-6-methoxy-4-[(thiophen-3-ylmethylamino)methyl]phenol
CID 55162656
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
2-bromo-6-methoxy-4-[(5-methylhexylamino)methyl]phenol
CID 115324827
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-bromo-6-methoxy-4-[(oxan-4-ylmethylamino)methyl]phenol
CID 63726270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol (CID 115671303) is 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol is COc1cc(CNCC(C)(C)OC)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
The InChIKey is KFJRFVZXQWVYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO3/c1-13(2,18-4)8-15-7-9-5-10(14)12(16)11(6-9)17-3/h5-6,15-16H,7-8H2,1-4H3.
What are the key properties of 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol has a molecular weight of 318.21 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol is sourced from PubChem (CID 115671303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).