2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

C14H21Br2NS — CID 43493192

IUPAC2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C14H21Br2NS/c1-2-17-12(8-10-6-4-3-5-7-10)11-9-13(15)18-14(11)16/h9-10,12,17H,2-8H2,1H3
InChIKeyNWHADWAOMCBILW-UHFFFAOYSA-N
MW395.20 g/mol
LogP5.89
Rot. Bonds5

About 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine

2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (PubChem CID 43493192) has the molecular formula C14H21Br2NS and a molecular weight of 395.20 g/mol. Its IUPAC name is 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
PubChem CID43493192
Molecular FormulaC14H21Br2NS
Molecular Weight395.20 g/mol
Exact Mass392.98
IUPAC Name2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C14H21Br2NS/c1-2-17-12(8-10-6-4-3-5-7-10)11-9-13(15)18-14(11)16/h9-10,12,17H,2-8H2,1H3
InChIKeyNWHADWAOMCBILW-UHFFFAOYSA-N
XLogP5.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.20
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
1-(2-bromo-4-methoxyphenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457634
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
N-[1-(5-bromo-2-methylthiophen-3-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163193
2-cyclopentyl-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302742
2-cycloheptyl-1-(2,5-dimethylphenyl)-N-ethylethanamine
CID 114457580
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866
1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)-N-ethylethanamine
CID 107967940
2-cyclohexyl-N-ethyl-1-(2-fluoro-5-methylphenyl)ethanamine
CID 115842003

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The IUPAC name of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine (CID 43493192) is 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is CCNC(CC1CCCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
The InChIKey is NWHADWAOMCBILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Br2NS/c1-2-17-12(8-10-6-4-3-5-7-10)11-9-13(15)18-14(11)16/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine?
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine has a molecular weight of 395.20 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine is sourced from PubChem (CID 43493192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).