1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

C11H15BrClNS — CID 102828614

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H15BrClNS/c1-2-14-9(5-7-3-4-7)10-6-8(12)11(13)15-10/h6-7,9,14H,2-5H2,1H3
InChIKeyKWJNJCYZXJZXRV-UHFFFAOYSA-N
MW308.67 g/mol
LogP4.61
Rot. Bonds5

About 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine

1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 102828614) has the molecular formula C11H15BrClNS and a molecular weight of 308.67 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
PubChem CID102828614
Molecular FormulaC11H15BrClNS
Molecular Weight308.67 g/mol
Exact Mass306.98
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C11H15BrClNS/c1-2-14-9(5-7-3-4-7)10-6-8(12)11(13)15-10/h6-7,9,14H,2-5H2,1H3
InChIKeyKWJNJCYZXJZXRV-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.67
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
1-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102828609
1-(4-bromo-5-chlorothiophen-2-yl)-2-(3,4-dimethylphenyl)-N-ethylethanamine
CID 102828563
1-(3-bromo-4-chlorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 113337189
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165549
3-bromo-2-chloro-5-(1-chloro-2-cycloheptylethyl)thiophene
CID 102836528
1-(4-bromo-2-chlorophenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986286
1-(4-bromo-5-chlorothiophen-2-yl)-3-methyl-N-propylbutan-1-amine
CID 102828697

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (CID 102828614) is 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is KWJNJCYZXJZXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClNS/c1-2-14-9(5-7-3-4-7)10-6-8(12)11(13)15-10/h6-7,9,14H,2-5H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 308.67 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 102828614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).