3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol

C14H16BrNOS — CID 102833788

IUPAC3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(Br)c(C)s2)c(C)c1O
InChIInChI=1S/C14H16BrNOS/c1-8-4-5-13(9(2)14(8)17)16-7-11-6-12(15)10(3)18-11/h4-6,16-17H,7H2,1-3H3
InChIKeyWUWPMFVCSKYIGT-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.75
Rot. Bonds3

About 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol

3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol (PubChem CID 102833788) has the molecular formula C14H16BrNOS and a molecular weight of 326.26 g/mol. Its IUPAC name is 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol.

Molecular Properties

Compound Name3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
PubChem CID102833788
Molecular FormulaC14H16BrNOS
Molecular Weight326.26 g/mol
Exact Mass325.01
IUPAC Name3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol
SMILESCc1ccc(NCc2cc(Br)c(C)s2)c(C)c1O
InChIInChI=1S/C14H16BrNOS/c1-8-4-5-13(9(2)14(8)17)16-7-11-6-12(15)10(3)18-11/h4-6,16-17H,7H2,1-3H3
InChIKeyWUWPMFVCSKYIGT-UHFFFAOYSA-N
XLogP4.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-methylaniline
CID 102833355
4-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,5-dimethylphenol
CID 106953702
3-[(5-chlorothiophen-2-yl)methylamino]-2,6-dimethylphenol
CID 43741643
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2-fluoroaniline
CID 102830284
3-[(3,4-dimethylphenyl)methylamino]-2,6-dimethylphenol
CID 43790197
3-[(3-bromo-2-hydroxyphenyl)methylamino]-2,6-dimethylphenol
CID 61391803
3-[(3-bromo-4-chlorophenyl)methylamino]-2,6-dimethylphenol
CID 83229907
4-bromo-N-[(4-bromo-5-methylthiophen-2-yl)methyl]-3-methylaniline
CID 102830288
1-[2-[(4-bromo-5-methylthiophen-2-yl)methylamino]phenyl]ethanol
CID 102835062
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 102832541
methyl 2-[(4-bromo-5-methylthiophen-2-yl)methylamino]-5-methylbenzoate
CID 102831978
ethyl 3-bromo-4-[(4-bromo-5-methylthiophen-2-yl)methylamino]benzoate
CID 102832187

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol?
The IUPAC name of 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol (CID 102833788) is 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol.
What is the SMILES notation for 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol?
The canonical SMILES for 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol is Cc1ccc(NCc2cc(Br)c(C)s2)c(C)c1O.
What is the InChIKey of 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol?
The InChIKey is WUWPMFVCSKYIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNOS/c1-8-4-5-13(9(2)14(8)17)16-7-11-6-12(15)10(3)18-11/h4-6,16-17H,7H2,1-3H3.
What are the key properties of 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol?
3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol has a molecular weight of 326.26 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-5-methylthiophen-2-yl)methylamino]-2,6-dimethylphenol is sourced from PubChem (CID 102833788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).