N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine

C11H15BrClNS — CID 102837609

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2cc(Br)c(Cl)s2)CCC1
InChIInChI=1S/C11H15BrClNS/c1-2-11(4-3-5-11)14-7-8-6-9(12)10(13)15-8/h6,14H,2-5,7H2,1H3
InChIKeyACCMKNZCVGFGDN-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.59
Rot. Bonds4

About N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine

N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 102837609) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID102837609
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2cc(Br)c(Cl)s2)CCC1
InChIInChI=1S/C11H15BrClNS/c1-2-11(4-3-5-11)14-7-8-6-9(12)10(13)15-8/h6,14H,2-5,7H2,1H3
InChIKeyACCMKNZCVGFGDN-UHFFFAOYSA-N
XLogP4.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-N-[(5-ethylthiophen-2-yl)methyl]cyclobutan-1-amine
CID 115673684
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]propan-2-amine
CID 102829960
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2-methylprop-2-en-1-amine
CID 102837874
[1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 102837247
1-[[(4-bromo-5-chlorothiophen-2-yl)methylamino]methyl]-4-ethylcyclohexan-1-ol
CID 102836147
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 102835259
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 102836459
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-3-ethoxypropan-1-amine
CID 102830641
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]cyclobutanamine
CID 102835424
[1-[(4-bromo-5-methylthiophen-2-yl)methylamino]cyclopentyl]methanol
CID 102835457
1-(4-bromo-5-chlorothiophen-2-yl)-N-cyclopentyloxymethanamine
CID 102837218
2-[(4-bromo-5-chlorothiophen-2-yl)methylamino]-2-ethylpropane-1,3-diol
CID 103527285

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine (CID 102837609) is N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2cc(Br)c(Cl)s2)CCC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is ACCMKNZCVGFGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c1-2-11(4-3-5-11)14-7-8-6-9(12)10(13)15-8/h6,14H,2-5,7H2,1H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine?
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 308.67 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 102837609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).