2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine

C15H24BrNS — CID 65425884

IUPAC2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C15H24BrNS/c1-2-3-11-4-6-12(7-5-11)15(17)9-14-8-13(16)10-18-14/h8,10-12,15H,2-7,9,17H2,1H3
InChIKeyQFNRZOTVYITBKQ-UHFFFAOYSA-N
MW330.34 g/mol
LogP4.99
Rot. Bonds5

About 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine

2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine (PubChem CID 65425884) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
PubChem CID65425884
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine
SMILESCCCC1CCC(C(N)Cc2cc(Br)cs2)CC1
InChIInChI=1S/C15H24BrNS/c1-2-3-11-4-6-12(7-5-11)15(17)9-14-8-13(16)10-18-14/h8,10-12,15H,2-7,9,17H2,1H3
InChIKeyQFNRZOTVYITBKQ-UHFFFAOYSA-N
XLogP4.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(4-ethylcyclohexyl)ethanol
CID 65393514
2-(1-benzothiophen-3-yl)-1-(4-propylcyclohexyl)ethanamine
CID 65423179
2-(4-bromothiophen-2-yl)-1-(4-methylcyclohexyl)ethanol
CID 62608065
N-[2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)ethyl]propan-1-amine
CID 65412607
2-(4-bromothiophen-2-yl)-1-(3-ethylcyclopentyl)-N-methylethanamine
CID 65411023
2-cyclopentyl-1-(4-propylcyclohexyl)ethanamine
CID 65424909
[1-(4-bromothiophen-2-yl)-3-cyclopentylpropan-2-yl]hydrazine
CID 105299335
4-amino-1-(4-bromothiophen-2-yl)-4-cyclopropylbutan-2-one
CID 116608847
1-(4-propylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 65423572
2-(4-bromothiophen-2-yl)-1-(4-butylcyclohexyl)ethanone
CID 114969376
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
2-(2-fluorophenyl)-1-(4-propylcyclohexyl)ethanamine
CID 65425112

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine (CID 65425884) is 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine is CCCC1CCC(C(N)Cc2cc(Br)cs2)CC1.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine?
The InChIKey is QFNRZOTVYITBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-2-3-11-4-6-12(7-5-11)15(17)9-14-8-13(16)10-18-14/h8,10-12,15H,2-7,9,17H2,1H3.
What are the key properties of 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine?
2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine has a molecular weight of 330.34 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1-(4-propylcyclohexyl)ethanamine is sourced from PubChem (CID 65425884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).