2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

C16H27NOS — CID 116772255

IUPAC2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1sccc1C
InChIInChI=1S/C16H27NOS/c1-4-18-15(13-8-6-5-7-9-13)14(17-3)16-12(2)10-11-19-16/h10-11,13-15,17H,4-9H2,1-3H3
InChIKeyBZMHRBADWDTESC-UHFFFAOYSA-N
MW281.46 g/mol
LogP4.30
Rot. Bonds6

About 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (PubChem CID 116772255) has the molecular formula C16H27NOS and a molecular weight of 281.46 g/mol. Its IUPAC name is 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
PubChem CID116772255
Molecular FormulaC16H27NOS
Molecular Weight281.46 g/mol
Exact Mass281.18
IUPAC Name2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine
SMILESCCOC(C1CCCCC1)C(NC)c1sccc1C
InChIInChI=1S/C16H27NOS/c1-4-18-15(13-8-6-5-7-9-13)14(17-3)16-12(2)10-11-19-16/h10-11,13-15,17H,4-9H2,1-3H3
InChIKeyBZMHRBADWDTESC-UHFFFAOYSA-N
XLogP4.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.46
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-cyclohexyl-2-ethoxy-1-(2-methylthiophen-3-yl)ethyl]hydrazine
CID 102843107
2-cyclopropyl-N-methyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153908
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 116772291
2-cyclohexyl-2-ethoxy-N-methyl-1-(6-methyl-3-pyridinyl)ethanamine
CID 116772313
1-(3-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxyethanamine
CID 107360324
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
[2-cyclohexyl-2-ethoxy-1-(2-methylphenyl)ethyl]hydrazine
CID 105278786
2-cyclopropyl-N-ethyl-1-(3-methylthiophen-2-yl)propan-1-amine
CID 83153909
1-cyclohexyl-1-ethoxy-N-methyl-3-(2-methylphenyl)propan-2-amine
CID 116772204
(2-cyclohexyl-2-ethoxy-1-thiophen-3-ylethyl)hydrazine
CID 105278800
2-cyclopropyl-2-ethoxy-N-methyl-1-(4-propan-2-ylphenyl)ethanamine
CID 116723290
1-(3-ethylcyclohexyl)-N-methyl-1-(3-methylthiophen-2-yl)methanamine
CID 79987761

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The IUPAC name of 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine (CID 116772255) is 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The canonical SMILES for 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is CCOC(C1CCCCC1)C(NC)c1sccc1C.
What is the InChIKey of 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
The InChIKey is BZMHRBADWDTESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NOS/c1-4-18-15(13-8-6-5-7-9-13)14(17-3)16-12(2)10-11-19-16/h10-11,13-15,17H,4-9H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine?
2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine has a molecular weight of 281.46 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-ethoxy-N-methyl-1-(3-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 116772255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).