3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol

C11H18BrNOS — CID 65111901

IUPAC3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyDOCDNRINGSUZND-UHFFFAOYSA-N
MW292.24 g/mol
LogP3.15
Rot. Bonds6

About 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol

3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol (PubChem CID 65111901) has the molecular formula C11H18BrNOS and a molecular weight of 292.24 g/mol. Its IUPAC name is 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
PubChem CID65111901
Molecular FormulaC11H18BrNOS
Molecular Weight292.24 g/mol
Exact Mass291.03
IUPAC Name3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCc1sccc1Br
InChIInChI=1S/C11H18BrNOS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8H2,1-2H3
InChIKeyDOCDNRINGSUZND-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 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 ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-bromothiophen-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104756410
2-benzyl-1-(3-bromothiophen-2-yl)butan-2-ol
CID 79007567
1-(3-bromothiophen-2-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66039628
2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropane-1,3-diol
CID 75525074
3-[(3-bromothiophen-2-yl)methylamino]-N,N-diethylpropanamide
CID 115380150
5-[(3-bromothiophen-2-yl)methylamino]pentan-2-ol
CID 107267901
N-[2-[(3-bromothiophen-2-yl)methylamino]ethyl]ethanesulfonamide
CID 86793085
N-[(3-bromothiophen-2-yl)methyl]-1-(3,5-dimethylphenyl)methanamine
CID 78943535
2-[(3-bromothiophen-2-yl)methylamino]ethanesulfonamide
CID 115379860
N-[(3-bromothiophen-2-yl)methyl]-1-(3-methyl-2-pyridinyl)methanamine
CID 63305848
3-[(3-bromothiophen-2-yl)methyl]-1,1-diethylurea
CID 78986182
methyl 2-[(3-bromothiophen-2-yl)methylamino]-2-methylpropanoate
CID 78952228

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol (CID 65111901) is 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol is CCC(O)(CC)CNCc1sccc1Br.
What is the InChIKey of 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol?
The InChIKey is DOCDNRINGSUZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNOS/c1-3-11(14,4-2)8-13-7-10-9(12)5-6-15-10/h5-6,13-14H,3-4,7-8H2,1-2H3.
What are the key properties of 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol?
3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol has a molecular weight of 292.24 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-bromothiophen-2-yl)methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 65111901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).