4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline

C13H14BrNS — CID 43646117

IUPAC4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
SMILESCc1cc(Br)cc(C)c1NCc1ccsc1
InChIInChI=1S/C13H14BrNS/c1-9-5-12(14)6-10(2)13(9)15-7-11-3-4-16-8-11/h3-6,8,15H,7H2,1-2H3
InChIKeyTWBZPBZASCDESJ-UHFFFAOYSA-N
MW296.23 g/mol
LogP4.74
Rot. Bonds3

About 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline

4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline (PubChem CID 43646117) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
PubChem CID43646117
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline
SMILESCc1cc(Br)cc(C)c1NCc1ccsc1
InChIInChI=1S/C13H14BrNS/c1-9-5-12(14)6-10(2)13(9)15-7-11-3-4-16-8-11/h3-6,8,15H,7H2,1-2H3
InChIKeyTWBZPBZASCDESJ-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
4-bromo-N-[(4-ethylphenyl)methyl]-2,6-dimethylaniline
CID 63449116
4-[(4-bromo-2,6-dimethylanilino)methyl]-2,6-dimethylphenol
CID 63449025
4-bromo-2,6-dimethyl-N-[(3-methylthiophen-2-yl)methyl]aniline
CID 63449338
3-bromo-5-methoxy-N-(thiophen-3-ylmethyl)aniline
CID 82858320
4-bromo-2,6-dimethyl-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 63448979
4-bromo-2,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 63449383
2-chloro-4-methyl-N-(thiophen-3-ylmethyl)pyridin-3-amine
CID 65485686
3-bromo-N-(thiophen-3-ylmethyl)-5-(trifluoromethyl)aniline
CID 65489410
4-methyl-1-N-(thiophen-3-ylmethyl)benzene-1,3-diamine
CID 63247673
3-bromo-5-(thiophen-3-ylmethylamino)benzoic acid
CID 102822963
4-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2,6-dimethylaniline
CID 55193295

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline (CID 43646117) is 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline is Cc1cc(Br)cc(C)c1NCc1ccsc1.
What is the InChIKey of 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is TWBZPBZASCDESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-9-5-12(14)6-10(2)13(9)15-7-11-3-4-16-8-11/h3-6,8,15H,7H2,1-2H3.
What are the key properties of 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline?
4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 296.23 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,6-dimethyl-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 43646117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).