5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol

C11H16BrNO3 — CID 115625537

IUPAC5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
SMILESCOCCNCc1cc(OC)c(O)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-15-4-3-13-7-8-5-11(16-2)10(14)6-9(8)12/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyAULUJTISWCQLCJ-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.90
Rot. Bonds6

About 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol

5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol (PubChem CID 115625537) has the molecular formula C11H16BrNO3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol.

Molecular Properties

Compound Name5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
PubChem CID115625537
Molecular FormulaC11H16BrNO3
Molecular Weight290.16 g/mol
Exact Mass289.03
IUPAC Name5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol
SMILESCOCCNCc1cc(OC)c(O)cc1Br
InChIInChI=1S/C11H16BrNO3/c1-15-4-3-13-7-8-5-11(16-2)10(14)6-9(8)12/h5-6,13-14H,3-4,7H2,1-2H3
InChIKeyAULUJTISWCQLCJ-UHFFFAOYSA-N
XLogP1.90
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-[(hydroxyamino)methyl]-2-methoxyphenol
CID 117372651
5-bromo-4-[[(2-ethyl-2-hydroxybutyl)amino]methyl]-2-methoxyphenol
CID 111122783
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethoxy]ethanol
CID 43220975
5-bromo-4-[[(2-hydroxy-4-methylpentyl)amino]methyl]-2-methoxyphenol
CID 111122786
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43225544
5-bromo-4-[[[1-(hydroxymethyl)cyclopropyl]methylamino]methyl]-2-methoxyphenol
CID 111579393
2-[2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]ethylamino]ethanol
CID 66538635
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-2-methoxyethanamine
CID 43391894
N-[(2-bromo-4,5-dimethoxyphenyl)methyl]but-3-en-1-amine
CID 113465465
4-bromo-2-methoxy-5-[[2-(4-propoxyphenyl)ethylamino]methyl]phenol
CID 22081240
2,6-dimethoxy-4-[(2-methoxyethylamino)methyl]phenol
CID 3614509
4-(aminooxymethyl)-5-bromo-2-methoxyphenol
CID 117372670

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol?
The IUPAC name of 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol (CID 115625537) is 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol.
What is the SMILES notation for 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol?
The canonical SMILES for 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol is COCCNCc1cc(OC)c(O)cc1Br.
What is the InChIKey of 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol?
The InChIKey is AULUJTISWCQLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3/c1-15-4-3-13-7-8-5-11(16-2)10(14)6-9(8)12/h5-6,13-14H,3-4,7H2,1-2H3.
What are the key properties of 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol?
5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol has a molecular weight of 290.16 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-methoxy-4-[(2-methoxyethylamino)methyl]phenol is sourced from PubChem (CID 115625537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).