[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol

C13H20BrNO2S — CID 115249158

IUPAC[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol
SMILESCC(C)(CNCC1(CO)COC1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNO2S/c1-12(2,11-3-10(14)4-18-11)5-15-6-13(7-16)8-17-9-13/h3-4,15-16H,5-9H2,1-2H3
InChIKeyNFJAMDSCLMMJPQ-UHFFFAOYSA-N
MW334.28 g/mol
LogP2.39
Rot. Bonds6

About [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol

[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol (PubChem CID 115249158) has the molecular formula C13H20BrNO2S and a molecular weight of 334.28 g/mol. Its IUPAC name is [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol
PubChem CID115249158
Molecular FormulaC13H20BrNO2S
Molecular Weight334.28 g/mol
Exact Mass333.04
IUPAC Name[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol
SMILESCC(C)(CNCC1(CO)COC1)c1cc(Br)cs1
InChIInChI=1S/C13H20BrNO2S/c1-12(2,11-3-10(14)4-18-11)5-15-6-13(7-16)8-17-9-13/h3-4,15-16H,5-9H2,1-2H3
InChIKeyNFJAMDSCLMMJPQ-UHFFFAOYSA-N
XLogP2.39
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol with MolForge

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Related Compounds

2-(4-bromothiophen-2-yl)-2-methyl-N-(piperidin-4-ylmethyl)propan-1-amine
CID 115210070
3-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-2,2-dimethylpropanenitrile
CID 115234386
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]propane-1,3-diamine
CID 115197588
4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-3-hydroxybutanoic acid
CID 115123172
[3-[(2,2,4-trimethylpentylamino)methyl]oxetan-3-yl]methanol
CID 115249148
4-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]aniline
CID 115212607
2-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-1-N,2-dimethylpropane-1,2-diamine
CID 115133068
(E)-4-[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]-4-oxobut-2-enoic acid
CID 115177350
N'-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203523
3-N-[2-(4-bromothiophen-2-yl)-2-methylpropyl]-3-methylbutane-1,3-diamine
CID 115135077
[1-[[2-(4-bromothiophen-2-yl)ethylamino]methyl]cyclobutyl]methanol
CID 115247094
[3-[(2,4,5-trimethylanilino)methyl]oxetan-3-yl]methanol
CID 115248804

Frequently Asked Questions

What is the IUPAC name of [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol (CID 115249158) is [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol is CC(C)(CNCC1(CO)COC1)c1cc(Br)cs1.
What is the InChIKey of [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol?
The InChIKey is NFJAMDSCLMMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO2S/c1-12(2,11-3-10(14)4-18-11)5-15-6-13(7-16)8-17-9-13/h3-4,15-16H,5-9H2,1-2H3.
What are the key properties of [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol?
[3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol has a molecular weight of 334.28 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[2-(4-bromothiophen-2-yl)-2-methylpropyl]amino]methyl]oxetan-3-yl]methanol is sourced from PubChem (CID 115249158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).