2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol

C11H18BrNOS — CID 106506348

IUPAC2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-2-5-11(7-13,8-14)6-9-3-4-10(12)15-9/h3-4,14H,2,5-8,13H2,1H3
InChIKeyUOXYBQALINCJOH-UHFFFAOYSA-N
MW292.24 g/mol
LogP2.79
Rot. Bonds6

About 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol

2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol (PubChem CID 106506348) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
PubChem CID106506348
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol
SMILESCCCC(CN)(CO)Cc1ccc(Br)s1
InChIInChI=1S/C11H18BrNOS/c1-2-5-11(7-13,8-14)6-9-3-4-10(12)15-9/h3-4,14H,2,5-8,13H2,1H3
InChIKeyUOXYBQALINCJOH-UHFFFAOYSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.24
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-[(5-bromothiophen-2-yl)methyl]-2-(hydroxymethyl)pentyl]carbamate
CID 106507452
2-(aminomethyl)-2-[(5-chlorothiophen-2-yl)methyl]butan-1-ol
CID 106508322
3-[(5-bromothiophen-2-yl)methyl]pentan-3-amine
CID 62619965
2-(aminomethyl)-2-[(2-chlorophenyl)methyl]pentan-1-ol
CID 106506462
2-(aminomethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methyl]pentan-1-ol
CID 106506478
2-[(5-bromothiophen-2-yl)methyl]-2-methylbutanoic acid
CID 62740253
2-(aminomethyl)-2-[(4-bromothiophen-2-yl)methyl]butan-1-ol
CID 106508330
2-[(5-bromothiophen-2-yl)methyl]-2-ethyl-N-propan-2-ylhexan-1-amine
CID 63508262
N-[(5-bromothiophen-2-yl)methyl]-2-methylpentan-2-amine
CID 115609606
3-amino-2-[(5-bromothiophen-2-yl)methyl]-2-methyl-3-oxopropanoic acid
CID 114899923
1-(5-bromothiophen-2-yl)-2,3-dimethylpentan-2-ol
CID 65146918
1-(5-bromothiophen-2-yl)-2-(4-ethylphenyl)propan-2-amine
CID 62622583

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol (CID 106506348) is 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol is CCCC(CN)(CO)Cc1ccc(Br)s1.
What is the InChIKey of 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol?
The InChIKey is UOXYBQALINCJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-2-5-11(7-13,8-14)6-9-3-4-10(12)15-9/h3-4,14H,2,5-8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol?
2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol has a molecular weight of 292.24 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(5-bromothiophen-2-yl)methyl]pentan-1-ol is sourced from PubChem (CID 106506348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).