N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine

C11H16BrNOS — CID 116870593

IUPACN-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2cc(Br)cs2)COC1
InChIInChI=1S/C11H16BrNOS/c1-8(2)13-5-11(6-14-7-11)10-3-9(12)4-15-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyZBPVVWIUHJISEV-UHFFFAOYSA-N
MW290.23 g/mol
LogP2.78
Rot. Bonds4

About N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine

N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine (PubChem CID 116870593) has the molecular formula C11H16BrNOS and a molecular weight of 290.23 g/mol. Its IUPAC name is N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
PubChem CID116870593
Molecular FormulaC11H16BrNOS
Molecular Weight290.23 g/mol
Exact Mass289.01
IUPAC NameN-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(c2cc(Br)cs2)COC1
InChIInChI=1S/C11H16BrNOS/c1-8(2)13-5-11(6-14-7-11)10-3-9(12)4-15-10/h3-4,8,13H,5-7H2,1-2H3
InChIKeyZBPVVWIUHJISEV-UHFFFAOYSA-N
XLogP2.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(4-bromothiophen-2-yl)oxetan-3-yl]methanamine
CID 116829631
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanethiol
CID 116872566
N-[[4-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-yl]methyl]propan-2-amine
CID 62392031
2-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-3-methylbutan-1-ol
CID 116875387
1-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]piperazine
CID 116873099
[1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]cyclobutyl]methanamine
CID 116874944
N-[[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870615
1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanone
CID 116873739
N-[(3-naphthalen-1-yloxetan-3-yl)methyl]propan-2-amine
CID 116870622
N-[[3-(2-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methyl]propan-2-amine
CID 116870590
3-[3-(4-bromothiophen-2-yl)oxetan-3-yl]-N-methylaniline
CID 116871185
N-[(4-thiophen-2-yloxan-4-yl)methyl]propan-2-amine
CID 62594784

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine (CID 116870593) is N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine is CC(C)NCC1(c2cc(Br)cs2)COC1.
What is the InChIKey of N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine?
The InChIKey is ZBPVVWIUHJISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNOS/c1-8(2)13-5-11(6-14-7-11)10-3-9(12)4-15-10/h3-4,8,13H,5-7H2,1-2H3.
What are the key properties of N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine?
N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine has a molecular weight of 290.23 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromothiophen-2-yl)oxetan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 116870593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).