2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine

C14H22BrNS — CID 63413437

IUPAC2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1CCCCC1
InChIInChI=1S/C14H22BrNS/c1-2-16-13(11-6-4-3-5-7-11)10-14-12(15)8-9-17-14/h8-9,11,13,16H,2-7,10H2,1H3
InChIKeyLNRMYVOZMDCKKE-UHFFFAOYSA-N
MW316.31 g/mol
LogP4.61
Rot. Bonds5

About 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine

2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine (PubChem CID 63413437) has the molecular formula C14H22BrNS and a molecular weight of 316.31 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
PubChem CID63413437
Molecular FormulaC14H22BrNS
Molecular Weight316.31 g/mol
Exact Mass315.07
IUPAC Name2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine
SMILESCCNC(Cc1sccc1Br)C1CCCCC1
InChIInChI=1S/C14H22BrNS/c1-2-16-13(11-6-4-3-5-7-11)10-14-12(15)8-9-17-14/h8-9,11,13,16H,2-7,10H2,1H3
InChIKeyLNRMYVOZMDCKKE-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromothiophen-2-yl)-1-cyclobutyl-N-methylethanamine
CID 64986632
2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 65411121
N-[2-(3-bromothiophen-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]propan-1-amine
CID 65424583
N-[(3-bromothiophen-2-yl)methyl]-1-cyclohexylethanamine
CID 63491927
tert-butyl 3-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107092337
1-cyclopentyl-N-ethyl-2-thiophen-2-ylethanamine
CID 61065338
1-[2-(3-bromothiophen-2-yl)-1-(ethylamino)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79064069
2-(3-bromothiophen-2-yl)-N-methyl-1-(thiolan-3-yl)ethanamine
CID 105139532
N-[2-(3-bromothiophen-2-yl)-1-(2,3-dihydro-1H-inden-2-yl)ethyl]propan-1-amine
CID 65412289
[1-(7-bicyclo[4.1.0]heptanyl)-2-(3-bromothiophen-2-yl)ethyl]hydrazine
CID 105299591
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
2-(3-bromothiophen-2-yl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 112681190

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine (CID 63413437) is 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine is CCNC(Cc1sccc1Br)C1CCCCC1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine?
The InChIKey is LNRMYVOZMDCKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrNS/c1-2-16-13(11-6-4-3-5-7-11)10-14-12(15)8-9-17-14/h8-9,11,13,16H,2-7,10H2,1H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine?
2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine has a molecular weight of 316.31 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-1-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 63413437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).