2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol

C10H14BrNO3 — CID 84810900

IUPAC2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
SMILESCOc1c(C)cc(CN(C)O)c(O)c1Br
InChIInChI=1S/C10H14BrNO3/c1-6-4-7(5-12(2)14)9(13)8(11)10(6)15-3/h4,13-14H,5H2,1-3H3
InChIKeyLUUNVUDHYQNKQZ-UHFFFAOYSA-N
MW276.13 g/mol
LogP2.29
Rot. Bonds3

About 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol

2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol (PubChem CID 84810900) has the molecular formula C10H14BrNO3 and a molecular weight of 276.13 g/mol. Its IUPAC name is 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol.

Molecular Properties

Compound Name2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
PubChem CID84810900
Molecular FormulaC10H14BrNO3
Molecular Weight276.13 g/mol
Exact Mass275.02
IUPAC Name2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol
SMILESCOc1c(C)cc(CN(C)O)c(O)c1Br
InChIInChI=1S/C10H14BrNO3/c1-6-4-7(5-12(2)14)9(13)8(11)10(6)15-3/h4,13-14H,5H2,1-3H3
InChIKeyLUUNVUDHYQNKQZ-UHFFFAOYSA-N
XLogP2.29
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.13
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
2-(3-bromo-2,4-dimethoxy-5-methylphenyl)acetic acid
CID 117466785
3-bromo-2-hydroxy-4-methoxy-5-methylbenzoic acid
CID 84806657
2,4-dibromo-3-methoxy-6-methylphenol
CID 11822564
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918
2,4-dibromo-6-[3-(dimethylamino)propyl]-3-methoxyphenol
CID 170865443
2-bromo-6-ethyl-3,4-dimethoxyphenol
CID 84710445
3-bromo-2-methoxy-4,6-dimethylphenol
CID 84694160
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)propanoic acid
CID 117488028
2-amino-4-[(3-amino-4-hydroxy-2-methoxy-5-methylphenyl)methyl]-3-methoxy-6-methylphenol
CID 59194594
6-(hydroxymethyl)-3-methoxy-2,4-dimethylphenol
CID 84768719
N-[(3-bromo-4-methoxy-2-methylphenyl)methyl]-N-methylhydroxylamine
CID 84806406

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol?
The IUPAC name of 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol (CID 84810900) is 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol.
What is the SMILES notation for 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol?
The canonical SMILES for 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol is COc1c(C)cc(CN(C)O)c(O)c1Br.
What is the InChIKey of 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol?
The InChIKey is LUUNVUDHYQNKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3/c1-6-4-7(5-12(2)14)9(13)8(11)10(6)15-3/h4,13-14H,5H2,1-3H3.
What are the key properties of 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol?
2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol has a molecular weight of 276.13 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[[hydroxy(methyl)amino]methyl]-3-methoxy-4-methylphenol is sourced from PubChem (CID 84810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).