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

C15H24ClNOS — CID 116763846

IUPAC2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Cl)s2)NC)CCCCC1
InChIInChI=1S/C15H24ClNOS/c1-3-18-15(9-5-4-6-10-15)13(17-2)11-12-7-8-14(16)19-12/h7-8,13,17H,3-6,9-11H2,1-2H3
InChIKeyLMMTULKXNDJWDX-UHFFFAOYSA-N
MW301.88 g/mol
LogP4.27
Rot. Bonds6

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

2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (PubChem CID 116763846) has the molecular formula C15H24ClNOS and a molecular weight of 301.88 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
PubChem CID116763846
Molecular FormulaC15H24ClNOS
Molecular Weight301.88 g/mol
Exact Mass301.13
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
SMILESCCOC1(C(Cc2ccc(Cl)s2)NC)CCCCC1
InChIInChI=1S/C15H24ClNOS/c1-3-18-15(9-5-4-6-10-15)13(17-2)11-12-7-8-14(16)19-12/h7-8,13,17H,3-6,9-11H2,1-2H3
InChIKeyLMMTULKXNDJWDX-UHFFFAOYSA-N
XLogP4.27
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 ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764052
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
[1-(1-ethoxycyclohexyl)-2-(5-ethylthiophen-2-yl)ethyl]hydrazine
CID 105276332
N-[(5-chlorothiophen-2-yl)-(1-ethoxycycloheptyl)methyl]ethanamine
CID 116771030
(5-chlorothiophen-2-yl)-(1-ethoxycyclohexyl)methanol
CID 116753583
1-(1-ethoxycycloheptyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 116770809
1-(1-ethoxycyclohexyl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 116763842
1-(1-ethoxycyclopentyl)-N-methyl-2-(4-methylphenyl)ethanamine
CID 116761943
2-(2-bromophenyl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116762033
1-(1-ethoxycyclohexyl)-2-(4-fluoro-2-methylphenyl)-N-methylethanamine
CID 114348398
2-(3,4-difluorophenyl)-1-(1-ethoxycyclohexyl)-N-methylethanamine
CID 116763856
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine (CID 116763846) is 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine is CCOC1(C(Cc2ccc(Cl)s2)NC)CCCCC1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
The InChIKey is LMMTULKXNDJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNOS/c1-3-18-15(9-5-4-6-10-15)13(17-2)11-12-7-8-14(16)19-12/h7-8,13,17H,3-6,9-11H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine?
2-(5-chlorothiophen-2-yl)-1-(1-ethoxycyclohexyl)-N-methylethanamine has a molecular weight of 301.88 g/mol, XLogP of 4.27, 6 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-methylethanamine is sourced from PubChem (CID 116763846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).