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

C15H24BrNO3 — CID 104625173

IUPAC2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
SMILESCOCCC(C)(C)CNCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H24BrNO3/c1-15(2,5-6-19-3)10-17-9-11-7-12(16)14(18)13(8-11)20-4/h7-8,17-18H,5-6,9-10H2,1-4H3
InChIKeyFIUAWVKYEUWENN-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.32
Rot. Bonds8

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

2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol (PubChem CID 104625173) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
PubChem CID104625173
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
SMILESCOCCC(C)(C)CNCc1cc(Br)c(O)c(OC)c1
InChIInChI=1S/C15H24BrNO3/c1-15(2,5-6-19-3)10-17-9-11-7-12(16)14(18)13(8-11)20-4/h7-8,17-18H,5-6,9-10H2,1-4H3
InChIKeyFIUAWVKYEUWENN-UHFFFAOYSA-N
XLogP3.32
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol with MolForge

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Related Compounds

2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2,6-dibromo-4-[[(2-hydroxy-4-methoxy-2-methylbutyl)amino]methyl]phenol
CID 106250300
4-[[(3-hydroxy-2,2-dimethylpropyl)amino]methyl]-2,6-dimethoxyphenol
CID 115359239
2-bromo-6-methoxy-4-[[4-(2-methoxyethoxy)butylamino]methyl]phenol
CID 115671182
4-chloro-2-methoxy-6-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol
CID 104651095
2-bromo-6-methoxy-4-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]phenol
CID 60733268
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-propan-2-ylacetamide
CID 43400031
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
2-bromo-6-methoxy-4-[(pent-3-ynylamino)methyl]phenol
CID 116642924
3-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]propanoic acid
CID 43139962

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol (CID 104625173) is 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol is COCCC(C)(C)CNCc1cc(Br)c(O)c(OC)c1.
What is the InChIKey of 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol?
The InChIKey is FIUAWVKYEUWENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-15(2,5-6-19-3)10-17-9-11-7-12(16)14(18)13(8-11)20-4/h7-8,17-18H,5-6,9-10H2,1-4H3.
What are the key properties of 2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol?
2-bromo-6-methoxy-4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol has a molecular weight of 346.27 g/mol, XLogP of 3.32, 8 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-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]phenol is sourced from PubChem (CID 104625173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).