2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine

C16H26ClNOS — CID 116764052

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1(OCC)CCCCC1
InChIInChI=1S/C16H26ClNOS/c1-3-18-14(12-13-8-9-15(17)20-13)16(19-4-2)10-6-5-7-11-16/h8-9,14,18H,3-7,10-12H2,1-2H3
InChIKeyUBSHIPDINOMHDJ-UHFFFAOYSA-N
MW315.91 g/mol
LogP4.66
Rot. Bonds7

About 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine

2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine (PubChem CID 116764052) has the molecular formula C16H26ClNOS and a molecular weight of 315.91 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
PubChem CID116764052
Molecular FormulaC16H26ClNOS
Molecular Weight315.91 g/mol
Exact Mass315.14
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1(OCC)CCCCC1
InChIInChI=1S/C16H26ClNOS/c1-3-18-14(12-13-8-9-15(17)20-13)16(19-4-2)10-6-5-7-11-16/h8-9,14,18H,3-7,10-12H2,1-2H3
InChIKeyUBSHIPDINOMHDJ-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763846
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
1-[2-(5-chlorothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79070614
(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
CID 116753583
[1-(1-ethoxycyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105276332
2-(3-chlorophenyl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764102
1-(1-ethoxycycloheptyl)-N-ethyl-2-thiophen-3-ylethanamine
CID 116771017
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
1-(1-ethoxycyclohexyl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 116764071

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine (CID 116764052) is 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)s1)C1(OCC)CCCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
The InChIKey is UBSHIPDINOMHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNOS/c1-3-18-14(12-13-8-9-15(17)20-13)16(19-4-2)10-6-5-7-11-16/h8-9,14,18H,3-7,10-12H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine?
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine has a molecular weight of 315.91 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine is sourced from PubChem (CID 116764052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).