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

C15H23Cl2NS — CID 107968322

IUPACN-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCC1CC
InChIInChI=1S/C15H23Cl2NS/c1-3-10-7-5-6-8-11(10)14(18-4-2)12-9-13(16)19-15(12)17/h9-11,14,18H,3-8H2,1-2H3
InChIKeyIYMRNVXTZQJRNF-UHFFFAOYSA-N
MW320.33 g/mol
LogP5.92
Rot. Bonds5

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

N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine (PubChem CID 107968322) has the molecular formula C15H23Cl2NS and a molecular weight of 320.33 g/mol. Its IUPAC name is N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
PubChem CID107968322
Molecular FormulaC15H23Cl2NS
Molecular Weight320.33 g/mol
Exact Mass319.09
IUPAC NameN-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine
SMILESCCNC(c1cc(Cl)sc1Cl)C1CCCCC1CC
InChIInChI=1S/C15H23Cl2NS/c1-3-10-7-5-6-8-11(10)14(18-4-2)12-9-13(16)19-15(12)17/h9-11,14,18H,3-8H2,1-2H3
InChIKeyIYMRNVXTZQJRNF-UHFFFAOYSA-N
XLogP5.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.33
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine with MolForge

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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]ethanamine
CID 43493095
N-[(2-chlorophenyl)-(2-ethylcyclohexyl)methyl]ethanamine
CID 63863652
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497782
N-[(2-ethylcyclohexyl)-(3-ethyl-6-methylpyridazin-4-yl)methyl]ethanamine
CID 105151189
1-(2,5-dichlorothiophen-3-yl)-N-ethylethanamine
CID 43493044
N-[cyclobutyl-(2,5-dichlorothiophen-3-yl)methyl]propan-1-amine
CID 43497808
N-[(2,5-dichlorothiophen-3-yl)-(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 107968699
2-[[1-(2,5-dichlorothiophen-3-yl)ethylamino]methyl]cyclopentan-1-ol
CID 103786858
N-[(2-chloro-4-methylphenyl)-(2-ethylcyclohexyl)methyl]propan-1-amine
CID 106857704
1-(2,5-dichlorothiophen-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 107968196
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine?
The IUPAC name of N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine (CID 107968322) is N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine.
What is the SMILES notation for N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine?
The canonical SMILES for N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine is CCNC(c1cc(Cl)sc1Cl)C1CCCCC1CC.
What is the InChIKey of N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine?
The InChIKey is IYMRNVXTZQJRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NS/c1-3-10-7-5-6-8-11(10)14(18-4-2)12-9-13(16)19-15(12)17/h9-11,14,18H,3-8H2,1-2H3.
What are the key properties of N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine?
N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine has a molecular weight of 320.33 g/mol, XLogP of 5.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorothiophen-3-yl)-(2-ethylcyclohexyl)methyl]ethanamine is sourced from PubChem (CID 107968322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).