4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol

C16H18BrNO — CID 107582089

IUPAC4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(Br)cc(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-14(17)8-15(5-10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyMOUCUZGXEPZUCR-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.69
Rot. Bonds3

About 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol

4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol (PubChem CID 107582089) has the molecular formula C16H18BrNO and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
PubChem CID107582089
Molecular FormulaC16H18BrNO
Molecular Weight320.23 g/mol
Exact Mass319.06
IUPAC Name4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol
SMILESCc1cc(Br)cc(NCc2cc(C)c(O)c(C)c2)c1
InChIInChI=1S/C16H18BrNO/c1-10-4-14(17)8-15(5-10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3
InChIKeyMOUCUZGXEPZUCR-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-[(3,5-dimethylanilino)methyl]-2,6-dimethylphenol
CID 28932342
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
2,6-dimethyl-4-[(4-methylanilino)methyl]phenol
CID 28932362
3-bromo-5-methyl-N-[(2,4,6-trimethylphenyl)methyl]aniline
CID 107582495
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
3-bromo-5-methyl-N-(pyridin-3-ylmethyl)aniline
CID 104938265
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346
4-[(2-bromo-4-methylanilino)methyl]-2,6-dimethylphenol
CID 28932226
2-[(3-bromo-5-methylanilino)methyl]-4,6-dichlorophenol
CID 107582433
3-bromo-N-[(2,4-dimethylphenyl)methyl]-5-methylaniline
CID 107582067
2,6-dimethyl-4-[(thiophen-3-ylamino)methyl]phenol
CID 66352322
3-bromo-N-[[4-(diethylamino)phenyl]methyl]-5-methylaniline
CID 107582087

Frequently Asked Questions

What is the IUPAC name of 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol (CID 107582089) is 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol is Cc1cc(Br)cc(NCc2cc(C)c(O)c(C)c2)c1.
What is the InChIKey of 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol?
The InChIKey is MOUCUZGXEPZUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO/c1-10-4-14(17)8-15(5-10)18-9-13-6-11(2)16(19)12(3)7-13/h4-8,18-19H,9H2,1-3H3.
What are the key properties of 4-[(3-bromo-5-methylanilino)methyl]-2,6-dimethylphenol?
4-[(3-bromo-5-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-5-methylanilino)methyl]-2,6-dimethylphenol is sourced from PubChem (CID 107582089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).