4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine

C13H14BrNS — CID 101490319

IUPAC4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
SMILESCc1cc(C)c(Nc2cscc2Br)c(C)c1
InChIInChI=1S/C13H14BrNS/c1-8-4-9(2)13(10(3)5-8)15-12-7-16-6-11(12)14/h4-7,15H,1-3H3
InChIKeyCBVQAZJFXDKUJN-UHFFFAOYSA-N
MW296.23 g/mol
LogP5.18
Rot. Bonds2

About 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine

4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine (PubChem CID 101490319) has the molecular formula C13H14BrNS and a molecular weight of 296.23 g/mol. Its IUPAC name is 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine.

Molecular Properties

Compound Name4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
PubChem CID101490319
Molecular FormulaC13H14BrNS
Molecular Weight296.23 g/mol
Exact Mass295.00
IUPAC Name4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine
SMILESCc1cc(C)c(Nc2cscc2Br)c(C)c1
InChIInChI=1S/C13H14BrNS/c1-8-4-9(2)13(10(3)5-8)15-12-7-16-6-11(12)14/h4-7,15H,1-3H3
InChIKeyCBVQAZJFXDKUJN-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.23
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4,6-trimethylanilino)thiophene-3-carbonitrile
CID 157403563
2-bromo-N-[(4-bromothiophen-3-yl)methyl]-4,6-dimethylaniline
CID 112739667
2-N,3-N,6-N,7-N,10-N,11-N-hexakis(2,4,6-trimethylphenyl)triphenylene-2,3,6,7,10,11-hexamine
CID 122204956
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782493
5-methyl-N-(2,4,6-trimethylphenyl)-1,3,4-thiadiazol-2-amine
CID 6459531
ethane;(4-methylthiophen-3-yl)hydrazine
CID 143422051
(4-methylthiophen-3-yl)hydrazine;hydrochloride
CID 55281111
2-chloro-N-(2,4,6-trimethylphenyl)pyridin-3-amine
CID 166451926
4-N-tert-butyl-2-methyl-6-N-(2,4,6-trimethylphenyl)pyrimidine-4,6-diamine
CID 112875926
N-(4-bromo-2-nitrophenyl)-2,4,6-trimethylaniline
CID 63462521
5-bromo-2-N-(2,4,6-trimethylphenyl)pyridine-2,3-diamine
CID 82094933
2,4,6-trimethyl-N-(2-propan-2-ylphenyl)aniline
CID 129025660

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine?
The IUPAC name of 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine (CID 101490319) is 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine.
What is the SMILES notation for 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine?
The canonical SMILES for 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine is Cc1cc(C)c(Nc2cscc2Br)c(C)c1.
What is the InChIKey of 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine?
The InChIKey is CBVQAZJFXDKUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNS/c1-8-4-9(2)13(10(3)5-8)15-12-7-16-6-11(12)14/h4-7,15H,1-3H3.
What are the key properties of 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine?
4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine has a molecular weight of 296.23 g/mol, XLogP of 5.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,4,6-trimethylphenyl)thiophen-3-amine is sourced from PubChem (CID 101490319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).