4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol

C16H18BrNO — CID 107629630

IUPAC4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2cccc(Br)c2C)cc(C)c1O
InChIInChI=1S/C16H18BrNO/c1-10-7-13(8-11(2)16(10)19)9-18-15-6-4-5-14(17)12(15)3/h4-8,18-19H,9H2,1-3H3
InChIKeyYAXOSZIXJNFGSO-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.69
Rot. Bonds3

About 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol

4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 107629630) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID107629630
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(CNc2cccc(Br)c2C)cc(C)c1O
InChIInChI=1S/C16H18BrNO/c1-10-7-13(8-11(2)16(10)19)9-18-15-6-4-5-14(17)12(15)3/h4-8,18-19H,9H2,1-3H3
InChIKeyYAXOSZIXJNFGSO-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

3-bromo-N-[(3-bromophenyl)methyl]-2-methylaniline
CID 107630044
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
3-bromo-N-[(5-bromo-3-pyridinyl)methyl]-2-methylaniline
CID 104857012
3-bromo-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107634111
3-bromo-2-methyl-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 107630419
4-[(2-methoxyanilino)methyl]-2,6-dimethylphenol
CID 28932228
2,6-dichloro-4-[(2,3-dimethylanilino)methyl]phenol
CID 126121984
3-bromo-2-methyl-N-[(4-trimethylsilylphenyl)methyl]aniline
CID 107633546
3-bromo-N-[[4-(dimethylamino)phenyl]methyl]-2-methylaniline
CID 107630152
3-bromo-N-[(3,4-dimethoxyphenyl)methyl]-2-methylaniline
CID 103818313
3-[(3-bromo-2-methylanilino)methyl]benzonitrile
CID 103731134
3-bromo-N-[(2,5-dimethylthiophen-3-yl)methyl]-2-methylaniline
CID 107629769

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol (CID 107629630) is 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol is Cc1cc(CNc2cccc(Br)c2C)cc(C)c1O.
What is the InChIKey of 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is YAXOSZIXJNFGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-7-13(8-11(2)16(10)19)9-18-15-6-4-5-14(17)12(15)3/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol?
4-[(3-bromo-2-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-[(3-bromo-2-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 107629630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).