2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol

C16H18BrNO3 — CID 60943377

IUPAC2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(C)cc(Br)cc2OC)c1
InChIInChI=1S/C16H18BrNO3/c1-10-6-12(17)8-15(21-3)16(10)18-9-11-7-13(20-2)4-5-14(11)19/h4-8,18-19H,9H2,1-3H3
InChIKeyZJDPMVIVXJFJLL-UHFFFAOYSA-N
MW352.23 g/mol
LogP4.09
Rot. Bonds5

About 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol

2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol (PubChem CID 60943377) has the molecular formula C16H18BrNO3 and a molecular weight of 352.23 g/mol. Its IUPAC name is 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
PubChem CID60943377
Molecular FormulaC16H18BrNO3
Molecular Weight352.23 g/mol
Exact Mass351.05
IUPAC Name2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol
SMILESCOc1ccc(O)c(CNc2c(C)cc(Br)cc2OC)c1
InChIInChI=1S/C16H18BrNO3/c1-10-6-12(17)8-15(21-3)16(10)18-9-11-7-13(20-2)4-5-14(11)19/h4-8,18-19H,9H2,1-3H3
InChIKeyZJDPMVIVXJFJLL-UHFFFAOYSA-N
XLogP4.09
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol 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

2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-methylphenol
CID 115951586
4-bromo-N-[(2-bromophenyl)methyl]-2-methoxy-6-methylaniline
CID 55193869
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-6-chlorophenol
CID 115951587
2-[(2,6-difluoro-3-methylanilino)methyl]-4-methoxyphenol
CID 82815902
2-[(2-ethyl-6-methylanilino)methyl]-4-methoxyphenol
CID 60925001
2-[(2,6-difluoroanilino)methyl]-4-methoxyphenol
CID 28974217
2-[(4-chloro-3-methoxyanilino)methyl]-4-methoxyphenol
CID 107272130
2-[(2-bromo-5-methylanilino)methyl]-4-methoxyphenol
CID 82761742
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]benzonitrile
CID 103745125
2-[[(2-chloro-4-methyl-3-pyridinyl)amino]methyl]-4-methoxyphenol
CID 65484698
4-bromo-N-[(5-bromo-2-methoxyphenyl)methyl]-2,6-dimethylaniline
CID 63449111
2-[(5-bromo-2-fluoroanilino)methyl]-4-methoxyphenol
CID 43555227

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol?
The IUPAC name of 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol (CID 60943377) is 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol.
What is the SMILES notation for 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol?
The canonical SMILES for 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol is COc1ccc(O)c(CNc2c(C)cc(Br)cc2OC)c1.
What is the InChIKey of 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol?
The InChIKey is ZJDPMVIVXJFJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO3/c1-10-6-12(17)8-15(21-3)16(10)18-9-11-7-13(20-2)4-5-14(11)19/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol?
2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol has a molecular weight of 352.23 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-methoxy-6-methylanilino)methyl]-4-methoxyphenol is sourced from PubChem (CID 60943377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).