N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine

C14H21BrClNS — CID 102828514

IUPACN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1
InChIInChI=1S/C14H21BrClNS/c1-3-14(7-5-6-8-14)12(17-4-2)11-9-10(15)13(16)18-11/h9,12,17H,3-8H2,1-2H3
InChIKeyWXPLOQKQPUOCQE-UHFFFAOYSA-N
MW350.75 g/mol
LogP5.78
Rot. Bonds5

About N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine

N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine (PubChem CID 102828514) has the molecular formula C14H21BrClNS and a molecular weight of 350.75 g/mol. Its IUPAC name is N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
PubChem CID102828514
Molecular FormulaC14H21BrClNS
Molecular Weight350.75 g/mol
Exact Mass349.03
IUPAC NameN-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine
SMILESCCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1
InChIInChI=1S/C14H21BrClNS/c1-3-14(7-5-6-8-14)12(17-4-2)11-9-10(15)13(16)18-11/h9,12,17H,3-8H2,1-2H3
InChIKeyWXPLOQKQPUOCQE-UHFFFAOYSA-N
XLogP5.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.75
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]propan-1-amine
CID 102828748
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methanamine
CID 102828032
N-[(5-chloro-4-methylthiophen-2-yl)-[1-(2-methylpropyl)cyclopentyl]methyl]ethanamine
CID 102763934
(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopropyl)methanol
CID 130553458
N-[(3-bromo-4-ethoxyphenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 104657609
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102828614
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
N-[(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 114021205
N-[(5-bromo-2-fluorophenyl)-(1-ethylcyclopentyl)methyl]ethanamine
CID 105011844
1-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102828609
1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine (CID 102828514) is N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine is CCNC(c1cc(Br)c(Cl)s1)C1(CC)CCCC1.
What is the InChIKey of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine?
The InChIKey is WXPLOQKQPUOCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrClNS/c1-3-14(7-5-6-8-14)12(17-4-2)11-9-10(15)13(16)18-11/h9,12,17H,3-8H2,1-2H3.
What are the key properties of N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine?
N-[(4-bromo-5-chlorothiophen-2-yl)-(1-ethylcyclopentyl)methyl]ethanamine has a molecular weight of 350.75 g/mol, XLogP of 5.78, 5 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)-(1-ethylcyclopentyl)methyl]ethanamine is sourced from PubChem (CID 102828514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).