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

C12H18BrNO3 — CID 82709629

IUPAC2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
SMILESCOc1cc(CNOCC(C)C)cc(Br)c1O
InChIInChI=1S/C12H18BrNO3/c1-8(2)7-17-14-6-9-4-10(13)12(15)11(5-9)16-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyRWVIFDQCLVYMGG-UHFFFAOYSA-N
MW304.18 g/mol
LogP2.84
Rot. Bonds6

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

2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol (PubChem CID 82709629) has the molecular formula C12H18BrNO3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol.

Molecular Properties

Compound Name2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
PubChem CID82709629
Molecular FormulaC12H18BrNO3
Molecular Weight304.18 g/mol
Exact Mass303.05
IUPAC Name2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol
SMILESCOc1cc(CNOCC(C)C)cc(Br)c1O
InChIInChI=1S/C12H18BrNO3/c1-8(2)7-17-14-6-9-4-10(13)12(15)11(5-9)16-3/h4-5,8,14-15H,6-7H2,1-3H3
InChIKeyRWVIFDQCLVYMGG-UHFFFAOYSA-N
XLogP2.84
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 107851086
2-bromo-4-[[[(1R)-1-cyclopentylethyl]amino]methyl]-6-methoxyphenol
CID 81394414
2-bromo-6-methoxy-4-[[(2-methoxy-2-methylpropyl)amino]methyl]phenol
CID 115671303
2-bromo-6-methoxy-4-[[2-methylpropyl(pentan-3-yl)amino]methyl]phenol
CID 82966035
2-bromo-4-[[(1-ethylcyclobutyl)amino]methyl]-6-methoxyphenol
CID 115673879
2-bromo-4-[[[2-(dimethylamino)-2-methylpropyl]amino]methyl]-6-methoxyphenol
CID 28651774
2-bromo-4-[[1-(4-fluorophenyl)ethylamino]methyl]-6-methoxyphenol
CID 43081085
2-bromo-4-[[1-(furan-2-yl)ethylamino]methyl]-6-methoxyphenol
CID 43400285
2-bromo-6-methoxy-4-[(oxan-4-ylamino)methyl]phenol
CID 43609733
2-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107910

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol?
The IUPAC name of 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol (CID 82709629) is 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol.
What is the SMILES notation for 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol?
The canonical SMILES for 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol is COc1cc(CNOCC(C)C)cc(Br)c1O.
What is the InChIKey of 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol?
The InChIKey is RWVIFDQCLVYMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3/c1-8(2)7-17-14-6-9-4-10(13)12(15)11(5-9)16-3/h4-5,8,14-15H,6-7H2,1-3H3.
What are the key properties of 2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol?
2-bromo-6-methoxy-4-[(2-methylpropoxyamino)methyl]phenol has a molecular weight of 304.18 g/mol, XLogP of 2.84, 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-methylpropoxyamino)methyl]phenol is sourced from PubChem (CID 82709629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).