2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol

C10H16BrNOS — CID 115381489

IUPAC2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3
InChIKeyLQRZOLHKPYWTIM-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.92
Rot. Bonds4

About 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol (PubChem CID 115381489) has the molecular formula C10H16BrNOS and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
PubChem CID115381489
Molecular FormulaC10H16BrNOS
Molecular Weight278.21 g/mol
Exact Mass277.01
IUPAC Name2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol
SMILESCCC(C)(CN)C(O)c1sccc1Br
InChIInChI=1S/C10H16BrNOS/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3
InChIKeyLQRZOLHKPYWTIM-UHFFFAOYSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-bromothiophen-2-yl)propan-1-ol
CID 82758861
3-bromo-2-(1-chloro-2,2-dimethylbutyl)thiophene
CID 80535903
1-(3-bromothiophen-2-yl)-2,2-dimethyl-N-propylbutan-1-amine
CID 80536067
1-(3-bromothiophen-2-yl)-2-ethyl-2-methoxybutan-1-amine
CID 116760534
1-[1-(3-bromothiophen-2-yl)ethylamino]-2-methylbutan-2-ol
CID 65108419
2-(aminomethyl)-1-(2-bromo-4,5-dimethoxyphenyl)-2-methylbutan-1-ol
CID 79135066
1-(3-bromothiophen-2-yl)-2-propylpentan-1-ol
CID 82987065
1-(3-bromothiophen-2-yl)pentane-1,2-diol
CID 103454860
1-(3-bromothiophen-2-yl)-3-ethoxypropan-1-ol
CID 105119402
1-(3-bromothiophen-2-yl)-2-ethoxy-2-methylpropan-1-amine
CID 116726184
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol?
The IUPAC name of 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol (CID 115381489) is 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol?
The canonical SMILES for 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1sccc1Br.
What is the InChIKey of 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol?
The InChIKey is LQRZOLHKPYWTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNOS/c1-3-10(2,6-12)9(13)8-7(11)4-5-14-8/h4-5,9,13H,3,6,12H2,1-2H3.
What are the key properties of 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol?
2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol has a molecular weight of 278.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(3-bromothiophen-2-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 115381489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).