5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline

C13H14BrNOS — CID 114088068

IUPAC5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline
SMILESCc1cc(C)c(OCc2cc(Br)cs2)cc1N
InChIInChI=1S/C13H14BrNOS/c1-8-3-9(2)13(5-12(8)15)16-6-11-4-10(14)7-17-11/h3-5,7H,6,15H2,1-2H3
InChIKeyPIKCVHLUDQSDQG-UHFFFAOYSA-N
MW312.23 g/mol
LogP4.29
Rot. Bonds3

About 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline

5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline (PubChem CID 114088068) has the molecular formula C13H14BrNOS and a molecular weight of 312.23 g/mol. Its IUPAC name is 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline.

Molecular Properties

Compound Name5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline
PubChem CID114088068
Molecular FormulaC13H14BrNOS
Molecular Weight312.23 g/mol
Exact Mass311.00
IUPAC Name5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline
SMILESCc1cc(C)c(OCc2cc(Br)cs2)cc1N
InChIInChI=1S/C13H14BrNOS/c1-8-3-9(2)13(5-12(8)15)16-6-11-4-10(14)7-17-11/h3-5,7H,6,15H2,1-2H3
InChIKeyPIKCVHLUDQSDQG-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.23
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-bromo-2-[(4-chloro-2-methyl-5-propan-2-ylphenoxy)methyl]thiophene
CID 55192997
4-bromo-2-[(4-bromo-3,5-dimethylphenoxy)methyl]thiophene
CID 107723788
4-bromo-2-[(2,6-dimethylphenoxy)methyl]thiophene
CID 63457355
(1S)-1-[2-[(4-bromothiophen-2-yl)methoxy]phenyl]ethanamine
CID 78936454
5-bromo-2-[(4-bromothiophen-2-yl)methoxy]benzenecarbothioamide
CID 83146034
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarbothioamide
CID 65471352
4-bromo-2-[[4-(chloromethyl)-2,6-dimethylphenoxy]methyl]thiophene
CID 63535500
[3-bromo-4-[(4-bromothiophen-2-yl)methoxy]phenyl]methanamine
CID 63045122
4-[(4-bromothiophen-2-yl)methoxy]-3,5-dimethylbenzoic acid
CID 63530518
1-[3-[(4-bromothiophen-2-yl)methoxy]-6-methyl-2-pyridinyl]propan-2-amine
CID 79169585
1-[4-[(4-bromothiophen-2-yl)methoxy]-3-chlorophenyl]ethanamine
CID 113389706
5-[(3-bromo-2,6-difluorophenyl)methoxy]-2,4-dimethylaniline
CID 106262856

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline?
The IUPAC name of 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline (CID 114088068) is 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline.
What is the SMILES notation for 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline?
The canonical SMILES for 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline is Cc1cc(C)c(OCc2cc(Br)cs2)cc1N.
What is the InChIKey of 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline?
The InChIKey is PIKCVHLUDQSDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOS/c1-8-3-9(2)13(5-12(8)15)16-6-11-4-10(14)7-17-11/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline?
5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline has a molecular weight of 312.23 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromothiophen-2-yl)methoxy]-2,4-dimethylaniline is sourced from PubChem (CID 114088068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).