3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline

C14H14BrNOS — CID 116871185

IUPAC3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
SMILESCNc1cccc(C2(c3cc(Br)cs3)COC2)c1
InChIInChI=1S/C14H14BrNOS/c1-16-12-4-2-3-10(5-12)14(8-17-9-14)13-6-11(15)7-18-13/h2-7,16H,8-9H2,1H3
InChIKeySENOPJINHFDKJT-UHFFFAOYSA-N
MW324.24 g/mol
LogP3.87
Rot. Bonds3

About 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline

3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline (PubChem CID 116871185) has the molecular formula C14H14BrNOS and a molecular weight of 324.24 g/mol. Its IUPAC name is 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline.

Molecular Properties

Compound Name3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
PubChem CID116871185
Molecular FormulaC14H14BrNOS
Molecular Weight324.24 g/mol
Exact Mass323.00
IUPAC Name3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
SMILESCNc1cccc(C2(c3cc(Br)cs3)COC2)c1
InChIInChI=1S/C14H14BrNOS/c1-16-12-4-2-3-10(5-12)14(8-17-9-14)13-6-11(15)7-18-13/h2-7,16H,8-9H2,1H3
InChIKeySENOPJINHFDKJT-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]benzoic acid
CID 116872233
[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
CID 116829631
N-methyl-3-[1-(trifluoromethyl)cyclopropyl]aniline
CID 172602253
N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
CID 116870593
N-methyl-3-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]aniline
CID 116871192
1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanone
CID 116873739
N-methyl-4-[3-(3-methylthiophen-2-yl)oxetan-3-yl]aniline
CID 116871239
N-methyl-3-[3-[(4-methyl-1,2,4-triazol-3-yl)methyl]oxetan-3-yl]aniline
CID 139361012
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872566
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
CID 116875387
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclopropane-1-carboxylic acid
CID 116872211

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline?
The IUPAC name of 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline (CID 116871185) is 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline.
What is the SMILES notation for 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline?
The canonical SMILES for 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline is CNc1cccc(C2(c3cc(Br)cs3)COC2)c1.
What is the InChIKey of 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline?
The InChIKey is SENOPJINHFDKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNOS/c1-16-12-4-2-3-10(5-12)14(8-17-9-14)13-6-11(15)7-18-13/h2-7,16H,8-9H2,1H3.
What are the key properties of 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline?
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline has a molecular weight of 324.24 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline is sourced from PubChem (CID 116871185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).