N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

C13H19Cl2NS — CID 43493095

IUPACN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCC1
InChIInChI=1S/C13H19Cl2NS/c1-2-16-12(9-6-4-3-5-7-9)10-8-11(14)17-13(10)15/h8-9,12,16H,2-7H2,1H3
InChIKeyDDYFPHAALRLJGO-UHFFFAOYSA-N
MW292.28 g/mol
LogP5.29
Rot. Bonds4

About N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine

N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (PubChem CID 43493095) has the molecular formula C13H19Cl2NS and a molecular weight of 292.28 g/mol. Its IUPAC name is N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
PubChem CID43493095
Molecular FormulaC13H19Cl2NS
Molecular Weight292.28 g/mol
Exact Mass291.06
IUPAC NameN-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCC1
InChIInChI=1S/C13H19Cl2NS/c1-2-16-12(9-6-4-3-5-7-9)10-8-11(14)17-13(10)15/h8-9,12,16H,2-7H2,1H3
InChIKeyDDYFPHAALRLJGO-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.28
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 107968322
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
N-[cyclohexyl-(2,5-dichlorophenyl)methyl]ethanamine
CID 43492976
N-[cyclohexyl-(2,4-dichlorophenyl)methyl]ethanamine
CID 55195117
2,5-dichloro-3-[chloro(cycloheptyl)methyl]thiophene
CID 63436878
2,5-dichloro-3-[chloro(cyclooctyl)methyl]thiophene
CID 65022750
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[(3-chloro-2-fluorophenyl)-cyclohexylmethyl]ethanamine
CID 64712638

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine (CID 43493095) is N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is CCNC(c1cc(Cl)sc1Cl)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
The InChIKey is DDYFPHAALRLJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NS/c1-2-16-12(9-6-4-3-5-7-9)10-8-11(14)17-13(10)15/h8-9,12,16H,2-7H2,1H3.
What are the key properties of N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine?
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine has a molecular weight of 292.28 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine is sourced from PubChem (CID 43493095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).