1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine

C15H24ClNOS — CID 116772291

IUPAC1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1ccc(Cl)s1
InChIInChI=1S/C15H24ClNOS/c1-3-18-15(11-7-5-4-6-8-11)14(17-2)12-9-10-13(16)19-12/h9-11,14-15,17H,3-8H2,1-2H3
InChIKeyQPJSIHKKTSPZBL-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.65
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine

1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine (PubChem CID 116772291) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
PubChem CID116772291
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1ccc(Cl)s1
InChIInChI=1S/C15H24ClNOS/c1-3-18-15(11-7-5-4-6-8-11)14(17-2)12-9-10-13(16)19-12/h9-11,14-15,17H,3-8H2,1-2H3
InChIKeyQPJSIHKKTSPZBL-UHFFFAOYSA-N
XLogP4.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.88
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanamine
CID 116723193
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
CID 116772255
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
CID 63508833
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
[1-(5-chlorothiophen-2-yl)-2-ethoxybutyl]hydrazine
CID 105271107
[3-(4-chlorophenyl)-1-cyclohexyl-1-ethoxypropan-2-yl]hydrazine
CID 105278948
[2-cyclohexyl-2-ethoxy-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102843107
(2-cyclohexyl-2-ethoxy-1-thiophen-3-ylethyl)hydrazine
CID 105278800
1-(4-chloro-3-methoxyphenyl)-2-cyclopropyl-2-ethoxy-N-methylethanamine
CID 116723314

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine (CID 116772291) is 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine is CCOC(C1CCCCC1)C(NC)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
The InChIKey is QPJSIHKKTSPZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-18-15(11-7-5-4-6-8-11)14(17-2)12-9-10-13(16)19-12/h9-11,14-15,17H,3-8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine?
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine has a molecular weight of 301.88 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine is sourced from PubChem (CID 116772291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).