2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine

C15H24ClNS — CID 65393739

IUPAC2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2ccc(Cl)s2)NC)CC1
InChIInChI=1S/C15H24ClNS/c1-3-11-4-6-12(7-5-11)14(17-2)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,3-7,10H2,1-2H3
InChIKeyCNJYYJHJSOXFJA-UHFFFAOYSA-N
MW285.88 g/mol
LogP4.75
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine

2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine (PubChem CID 65393739) has the molecular formula C15H24ClNS and a molecular weight of 285.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
PubChem CID65393739
Molecular FormulaC15H24ClNS
Molecular Weight285.88 g/mol
Exact Mass285.13
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine
SMILESCCC1CCC(C(Cc2ccc(Cl)s2)NC)CC1
InChIInChI=1S/C15H24ClNS/c1-3-11-4-6-12(7-5-11)14(17-2)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,3-7,10H2,1-2H3
InChIKeyCNJYYJHJSOXFJA-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 65334443
2-(5-ethylthiophen-2-yl)-N-methyl-1-(4-propylcyclohexyl)ethanamine
CID 65425118
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(4-methylcyclohexyl)ethanamine
CID 55185869
2-(5-chlorothiophen-2-yl)-N-methyl-1-(oxan-2-yl)ethanamine
CID 115841757
2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
3-(5-chlorothiophen-2-yl)-1-cyclopropyl-N-ethylpropan-1-amine
CID 63355483
N-[1-(4-ethylcyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]propan-1-amine
CID 65392917
2-(5-chlorothiophen-2-yl)-1-(2,2-dimethylcyclopentyl)-N-methylethanamine
CID 107188272
2-(5-bromothiophen-2-yl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65423025
2-(5-chlorothiophen-2-yl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105135106
tert-butyl 3-[2-(5-chlorothiophen-2-yl)-1-(methylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092301
1-(4,4-dimethylcyclohexyl)-2-(5-ethylthiophen-2-yl)-N-methylethanamine
CID 65391425

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine (CID 65393739) is 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine is CCC1CCC(C(Cc2ccc(Cl)s2)NC)CC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
The InChIKey is CNJYYJHJSOXFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNS/c1-3-11-4-6-12(7-5-11)14(17-2)10-13-8-9-15(16)18-13/h8-9,11-12,14,17H,3-7,10H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine?
2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine has a molecular weight of 285.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(4-ethylcyclohexyl)-N-methylethanamine is sourced from PubChem (CID 65393739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).