2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine

C12H20BrNS — CID 62529321

IUPAC2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-3-5-10(9-14-4-2)8-12-11(13)6-7-15-12/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyFCCQDWBGIQBSJY-UHFFFAOYSA-N
MW290.27 g/mol
LogP4.08
Rot. Bonds7

About 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine

2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine (PubChem CID 62529321) has the molecular formula C12H20BrNS and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
PubChem CID62529321
Molecular FormulaC12H20BrNS
Molecular Weight290.27 g/mol
Exact Mass289.05
IUPAC Name2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine
SMILESCCCC(CNCC)Cc1sccc1Br
InChIInChI=1S/C12H20BrNS/c1-3-5-10(9-14-4-2)8-12-11(13)6-7-15-12/h6-7,10,14H,3-5,8-9H2,1-2H3
InChIKeyFCCQDWBGIQBSJY-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-4-methylpentan-1-amine
CID 62529510
2-[(3-bromothiophen-2-yl)methyl]-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 63522590
1-(3-bromothiophen-2-yl)-N-ethyl-3-propylhexan-2-amine
CID 115849149
2-[(3-bromothiophen-2-yl)methyl]-3-(3-fluorophenyl)-N-propylpropan-1-amine
CID 63521377
1-(3-bromothiophen-2-yl)heptan-2-ol
CID 65149568
3-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)-N-ethylpropan-1-amine
CID 79443317
3-(3-bromothiophen-2-yl)-2-phenyl-N-propylpropan-1-amine
CID 65431914
N-ethyl-2-[(4-iodophenyl)methyl]pentan-1-amine
CID 65488916
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
2-[(4-bromo-2-chlorophenyl)methyl]-N-ethylpentan-1-amine
CID 113471443
2-[(2-bromophenyl)methyl]-3-(3-bromothiophen-2-yl)-N-methylpropan-1-amine
CID 63521959

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine?
The IUPAC name of 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine (CID 62529321) is 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine is CCCC(CNCC)Cc1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine?
The InChIKey is FCCQDWBGIQBSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNS/c1-3-5-10(9-14-4-2)8-12-11(13)6-7-15-12/h6-7,10,14H,3-5,8-9H2,1-2H3.
What are the key properties of 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine?
2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine has a molecular weight of 290.27 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)methyl]-N-ethylpentan-1-amine is sourced from PubChem (CID 62529321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).