4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol

C15H24BrNO3 — CID 115903850

IUPAC4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
SMILESCOCCCN(CCOC)Cc1cc(Br)cc(C)c1O
InChIInChI=1S/C15H24BrNO3/c1-12-9-14(16)10-13(15(12)18)11-17(6-8-20-3)5-4-7-19-2/h9-10,18H,4-8,11H2,1-3H3
InChIKeyGGMURPJUDKCLFZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP2.95
Rot. Bonds9

About 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol

4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol (PubChem CID 115903850) has the molecular formula C15H24BrNO3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol.

Molecular Properties

Compound Name4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
PubChem CID115903850
Molecular FormulaC15H24BrNO3
Molecular Weight346.27 g/mol
Exact Mass345.09
IUPAC Name4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol
SMILESCOCCCN(CCOC)Cc1cc(Br)cc(C)c1O
InChIInChI=1S/C15H24BrNO3/c1-12-9-14(16)10-13(15(12)18)11-17(6-8-20-3)5-4-7-19-2/h9-10,18H,4-8,11H2,1-3H3
InChIKeyGGMURPJUDKCLFZ-UHFFFAOYSA-N
XLogP2.95
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82978309
4-bromo-2-[[ethyl(2-methoxyethyl)amino]methyl]phenol
CID 79038153
4-bromo-2-methyl-6-[[methyl(2-methylbutan-2-yl)amino]methyl]phenol
CID 112621866
4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483465
4-[[ethyl(2-methoxyethyl)amino]methyl]-2,6-dimethylphenol
CID 82986228
2-chloro-6-methoxy-4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenol
CID 82958065
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]aniline
CID 54985082
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-4-nitroaniline
CID 62207174
[4-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]phenyl]methanol
CID 112631210
3-methoxy-N-(2-methoxyethyl)-N-[[2-(methylaminomethyl)phenyl]methyl]propan-1-amine
CID 62436682
2-[(4-hydroxy-3,5-dimethylphenyl)methyl-(2-methoxyethyl)amino]acetic acid
CID 65067154

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol?
The IUPAC name of 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol (CID 115903850) is 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol.
What is the SMILES notation for 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol?
The canonical SMILES for 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol is COCCCN(CCOC)Cc1cc(Br)cc(C)c1O.
What is the InChIKey of 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol?
The InChIKey is GGMURPJUDKCLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO3/c1-12-9-14(16)10-13(15(12)18)11-17(6-8-20-3)5-4-7-19-2/h9-10,18H,4-8,11H2,1-3H3.
What are the key properties of 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol?
4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol has a molecular weight of 346.27 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-6-methylphenol is sourced from PubChem (CID 115903850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).