1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol

C13H22BrNOS — CID 66003447

IUPAC1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C13H22BrNOS/c1-12(2,3)15-8-7-13(4,16)9-10-5-6-11(14)17-10/h5-6,15-16H,7-9H2,1-4H3
InChIKeyCSSMPKLLSTYPNL-UHFFFAOYSA-N
MW320.30 g/mol
LogP3.58
Rot. Bonds5

About 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol

1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol (PubChem CID 66003447) has the molecular formula C13H22BrNOS and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
PubChem CID66003447
Molecular FormulaC13H22BrNOS
Molecular Weight320.30 g/mol
Exact Mass319.06
IUPAC Name1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol
SMILESCC(O)(CCNC(C)(C)C)Cc1ccc(Br)s1
InChIInChI=1S/C13H22BrNOS/c1-12(2,3)15-8-7-13(4,16)9-10-5-6-11(14)17-10/h5-6,15-16H,7-9H2,1-4H3
InChIKeyCSSMPKLLSTYPNL-UHFFFAOYSA-N
XLogP3.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 66002474
N-[(5-bromothiophen-2-yl)methyl]-N'-tert-butylethane-1,2-diamine
CID 79256811
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
4-[1-(5-bromothiophen-2-yl)-2-hydroxypropan-2-yl]phenol
CID 83075163
2-[(5-bromothiophen-2-yl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899636
N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
CID 54869367
N-[(5-bromothiophen-2-yl)methyl]-2-(tert-butylamino)acetamide
CID 49488269
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
N-[4-(5-bromothiophen-2-yl)-3,3-dimethylbutyl]cyclopropanamine
CID 81023040
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol?
The IUPAC name of 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol (CID 66003447) is 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol is CC(O)(CCNC(C)(C)C)Cc1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol?
The InChIKey is CSSMPKLLSTYPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrNOS/c1-12(2,3)15-8-7-13(4,16)9-10-5-6-11(14)17-10/h5-6,15-16H,7-9H2,1-4H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol?
1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol has a molecular weight of 320.30 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-4-(tert-butylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 66003447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).