4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol

C16H18BrNO — CID 28932226

IUPAC4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(C)c(O)c(C)c2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-5-15(14(17)6-10)18-9-13-7-11(2)16(19)12(3)8-13/h4-8,18-19H,9H2,1-3H3
InChIKeyHUNDMOVYQQFZHW-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.69
Rot. Bonds3

About 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol

4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 28932226) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID28932226
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(C)c(O)c(C)c2)c(Br)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-5-15(14(17)6-10)18-9-13-7-11(2)16(19)12(3)8-13/h4-8,18-19H,9H2,1-3H3
InChIKeyHUNDMOVYQQFZHW-UHFFFAOYSA-N
XLogP4.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2-methoxy-4-methylanilino)methyl]-2,6-dimethylphenol
CID 60931109
N-benzyl-2-bromo-4-methylaniline
CID 11242845
4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
CID 107629630
2,6-dibromo-4-[(2-bromo-5-methylanilino)methyl]phenol
CID 107741003
4-[(4-bromo-2-fluoroanilino)methyl]-2,6-dimethylphenol
CID 28932268
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline
CID 1115726
4-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[(2,4-dichloroanilino)methyl]-2,6-dimethylphenol
CID 28932248
2-bromo-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]aniline;oxalic acid
CID 17367543
3-bromo-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]benzenecarbothioamide
CID 82786519
3-[(2-bromo-4-methylanilino)methyl]benzoic acid
CID 103231664

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol (CID 28932226) is 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol is Cc1ccc(NCc2cc(C)c(O)c(C)c2)c(Br)c1.
What is the InChIKey of 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is HUNDMOVYQQFZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-4-5-15(14(17)6-10)18-9-13-7-11(2)16(19)12(3)8-13/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol?
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol has a molecular weight of 320.23 g/mol, XLogP of 4.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 28932226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).