1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol

C9H14BrNOS — CID 130146184

IUPAC1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3
InChIKeyQTXKQGXEWNIOMW-UHFFFAOYSA-N
MW264.19 g/mol
LogP2.53
Rot. Bonds3

About 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol

1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol (PubChem CID 130146184) has the molecular formula C9H14BrNOS and a molecular weight of 264.19 g/mol. Its IUPAC name is 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
PubChem CID130146184
Molecular FormulaC9H14BrNOS
Molecular Weight264.19 g/mol
Exact Mass263.00
IUPAC Name1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(N)c1ccc(Br)s1
InChIInChI=1S/C9H14BrNOS/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3
InChIKeyQTXKQGXEWNIOMW-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.19
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromothiophen-2-yl)-2-propan-2-ylpropane-1,3-diamine
CID 116945742
(1S)-1-(5-bromothiophen-2-yl)-2-methylbutan-1-amine;hydrochloride
CID 171222535
2-amino-5-(5-bromothiophen-2-yl)hexan-3-ol
CID 83935038
[(1S)-1-(5-bromothiophen-2-yl)ethyl]hydrazine
CID 93426787
3-[2-amino-1-(5-bromothiophen-2-yl)propyl]sulfanylbutan-2-ol
CID 107770488
1-amino-1-(5-bromothiophen-2-yl)-2-methylpropan-2-ol
CID 83693253
1-(5-bromothiophen-2-yl)butane-1,3-diamine
CID 116933230
(1-aminocyclopropyl)-(5-bromothiophen-2-yl)methanol
CID 116836152
1-(5-bromothiophen-2-yl)-1-(methylamino)propan-2-ol
CID 116859412
1-(5-bromothiophen-2-yl)-2-methylbutan-1-ol
CID 61081527
methyl (2R)-2-amino-2-(5-bromothiophen-2-yl)acetate
CID 130055189
(5-bromothiophen-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 61086892

Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol?
The IUPAC name of 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol (CID 130146184) is 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol.
What is the SMILES notation for 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol?
The canonical SMILES for 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol is CC(C)C(O)C(N)c1ccc(Br)s1.
What is the InChIKey of 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol?
The InChIKey is QTXKQGXEWNIOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrNOS/c1-5(2)9(12)8(11)6-3-4-7(10)13-6/h3-5,8-9,12H,11H2,1-2H3.
What are the key properties of 1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol?
1-amino-1-(5-bromothiophen-2-yl)-3-methylbutan-2-ol has a molecular weight of 264.19 g/mol, XLogP of 2.53, 3 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)-3-methylbutan-2-ol is sourced from PubChem (CID 130146184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).