1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol

C8H12BrNOS — CID 83693253

IUPAC1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-8(2,11)7(10)5-3-4-6(9)12-5/h3-4,7,11H,10H2,1-2H3
InChIKeyHGEYHYUELHIODZ-UHFFFAOYSA-N
MW250.16 g/mol
LogP2.28
Rot. Bonds2

About 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol

1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol (PubChem CID 83693253) has the molecular formula C8H12BrNOS and a molecular weight of 250.16 g/mol. Its IUPAC name is 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
PubChem CID83693253
Molecular FormulaC8H12BrNOS
Molecular Weight250.16 g/mol
Exact Mass248.98
IUPAC Name1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
SMILESCC(C)(O)C(N)c1ccc(Br)s1
InChIInChI=1S/C8H12BrNOS/c1-8(2,11)7(10)5-3-4-6(9)12-5/h3-4,7,11H,10H2,1-2H3
InChIKeyHGEYHYUELHIODZ-UHFFFAOYSA-N
XLogP2.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.16
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-amino-3-(5-bromothiophen-2-yl)-2,2-dimethylpropan-1-ol
CID 130708717
(5-bromothiophen-2-yl)-(4-tert-butylcyclohexyl)methanamine
CID 63501690
1-[1-(5-bromothiophen-2-yl)ethylamino]-2-methylpropan-2-ol
CID 65102628
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
CID 130146184
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
5-amino-5-(5-bromothiophen-2-yl)pentan-2-one
CID 116940683
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
(5-bromothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 66475544
3-[[1-(5-bromothiophen-2-yl)ethylamino]methyl]pentan-3-ol
CID 65105459
1-(5-bromothiophen-2-yl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82719779

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol (CID 83693253) is 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol is CC(C)(O)C(N)c1ccc(Br)s1.
What is the InChIKey of 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol?
The InChIKey is HGEYHYUELHIODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BrNOS/c1-8(2,11)7(10)5-3-4-6(9)12-5/h3-4,7,11H,10H2,1-2H3.
What are the key properties of 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol?
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol has a molecular weight of 250.16 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol is sourced from PubChem (CID 83693253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).