2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine

C15H24BrNOS — CID 116766889

IUPAC2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Br)s2)CCC(C)CC1
InChIInChI=1S/C15H24BrNOS/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11,13H,3,6-10,17H2,1-2H3
InChIKeyAMVCIYOXOCWWTL-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.37
Rot. Bonds5

About 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine (PubChem CID 116766889) has the molecular formula C15H24BrNOS and a molecular weight of 346.33 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
PubChem CID116766889
Molecular FormulaC15H24BrNOS
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2ccc(Br)s2)CCC(C)CC1
InChIInChI=1S/C15H24BrNOS/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11,13H,3,6-10,17H2,1-2H3
InChIKeyAMVCIYOXOCWWTL-UHFFFAOYSA-N
XLogP4.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4-methylcyclohexyl)-2-(2-methylphenyl)ethanamine
CID 116766935
3-[2-amino-2-(1-ethoxy-4-methylcyclohexyl)ethyl]pyridin-2-amine
CID 116767017
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanone
CID 116749384
2-(5-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-methylethanamine
CID 116761862
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116768615
2-(4-chloro-3-fluorophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 107885231
[2-(2-bromophenyl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277395
[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
(1-ethoxy-4-methylcyclohexyl)-(4-ethylphenyl)methanamine
CID 116766963
[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277390
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
[(3-bromofuran-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277396

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine (CID 116766889) is 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine is CCOC1(C(N)Cc2ccc(Br)s2)CCC(C)CC1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
The InChIKey is AMVCIYOXOCWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNOS/c1-3-18-15(8-6-11(2)7-9-15)13(17)10-12-4-5-14(16)19-12/h4-5,11,13H,3,6-10,17H2,1-2H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine has a molecular weight of 346.33 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine is sourced from PubChem (CID 116766889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).