2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine

C16H24BrNS — CID 79991546

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(C)c(Br)s1
InChIInChI=1S/C16H24BrNS/c1-3-18-14(15-6-10(2)16(17)19-15)9-13-8-11-4-5-12(13)7-11/h6,11-14,18H,3-5,7-9H2,1-2H3
InChIKeyQGRCEUIHYJVTPY-UHFFFAOYSA-N
MW342.35 g/mol
LogP5.30
Rot. Bonds5

About 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine

2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine (PubChem CID 79991546) has the molecular formula C16H24BrNS and a molecular weight of 342.35 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
PubChem CID79991546
Molecular FormulaC16H24BrNS
Molecular Weight342.35 g/mol
Exact Mass341.08
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
SMILESCCNC(CC1CC2CCC1C2)c1cc(C)c(Br)s1
InChIInChI=1S/C16H24BrNS/c1-3-18-14(15-6-10(2)16(17)19-15)9-13-8-11-4-5-12(13)7-11/h6,11-14,18H,3-5,7-9H2,1-2H3
InChIKeyQGRCEUIHYJVTPY-UHFFFAOYSA-N
XLogP5.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.35
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine with MolForge

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Related Compounds

2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromo-3,5-dimethylphenyl)-N-ethylethanamine
CID 114330715
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-(5-chloro-4-methylthiophen-2-yl)ethyl]propan-1-amine
CID 102764234
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)ethanamine
CID 106883887
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302763
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(2-fluoro-4-methylphenyl)ethanamine
CID 105012810
2-(2-bicyclo[2.2.1]heptanyl)-1-(2-bromo-5-methoxyphenyl)-N-ethylethanamine
CID 105167818
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105012701
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine
CID 105003367
N-[2-(2-bicyclo[2.2.1]heptanyl)-1-thieno[3,2-b]thiophen-5-ylethyl]propan-1-amine
CID 105012674
[2-(2-bicyclo[2.2.1]heptanyl)-1-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105222665
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 105012664
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,3-diethylpyrazol-5-yl)-N-ethylethanamine
CID 105167871

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine (CID 79991546) is 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine is CCNC(CC1CC2CCC1C2)c1cc(C)c(Br)s1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine?
The InChIKey is QGRCEUIHYJVTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNS/c1-3-18-14(15-6-10(2)16(17)19-15)9-13-8-11-4-5-12(13)7-11/h6,11-14,18H,3-5,7-9H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine?
2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine has a molecular weight of 342.35 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-(5-bromo-4-methylthiophen-2-yl)-N-ethylethanamine is sourced from PubChem (CID 79991546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).