2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine

C16H26BrNOS — CID 116768615

IUPAC2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2sccc2Br)CCC(C)(C)CC1
InChIInChI=1S/C16H26BrNOS/c1-4-19-16(8-6-15(2,3)7-9-16)14(18)11-13-12(17)5-10-20-13/h5,10,14H,4,6-9,11,18H2,1-3H3
InChIKeyLNUAQFGXDHCBSD-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.76
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine

2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 116768615) has the molecular formula C16H26BrNOS and a molecular weight of 360.36 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID116768615
Molecular FormulaC16H26BrNOS
Molecular Weight360.36 g/mol
Exact Mass359.09
IUPAC Name2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCOC1(C(N)Cc2sccc2Br)CCC(C)(C)CC1
InChIInChI=1S/C16H26BrNOS/c1-4-19-16(8-6-15(2,3)7-9-16)14(18)11-13-12(17)5-10-20-13/h5,10,14H,4,6-9,11,18H2,1-3H3
InChIKeyLNUAQFGXDHCBSD-UHFFFAOYSA-N
XLogP4.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromothiophen-2-yl)-1-(4-ethoxyoxan-4-yl)ethyl]hydrazine
CID 105276919
N-[(3-bromothiophen-2-yl)-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768848
[2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethyl]hydrazine
CID 105277367
2-(3-bromothiophen-2-yl)-1-(1-ethoxycyclopentyl)-N-ethylethanamine
CID 116762214
2-(5-bromothiophen-2-yl)-1-(1-ethoxy-4-methylcyclohexyl)ethanamine
CID 116766889
[(1-ethoxy-4,4-dimethylcyclohexyl)-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105277891
2-(3-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanamine
CID 63417719
1-[(3-bromothiophen-2-yl)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65149116
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
2-(3-bromo-2,6-difluorophenyl)-1-(4-ethoxyoxan-4-yl)ethanamine
CID 106268649
[(3-bromothiophen-2-yl)-(1-ethoxy-4-methylcyclohexyl)methyl]hydrazine
CID 105277390

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine (CID 116768615) is 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine is CCOC1(C(N)Cc2sccc2Br)CCC(C)(C)CC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is LNUAQFGXDHCBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BrNOS/c1-4-19-16(8-6-15(2,3)7-9-16)14(18)11-13-12(17)5-10-20-13/h5,10,14H,4,6-9,11,18H2,1-3H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine has a molecular weight of 360.36 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 116768615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).