1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine

C15H23BrClNS — CID 102828573

IUPAC1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C15H23BrClNS/c1-2-18-13(14-10-12(16)15(17)19-14)9-8-11-6-4-3-5-7-11/h10-11,13,18H,2-9H2,1H3
InChIKeyVTWRREDRSBJVDG-UHFFFAOYSA-N
MW364.78 g/mol
LogP6.18
Rot. Bonds6

About 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine

1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine (PubChem CID 102828573) has the molecular formula C15H23BrClNS and a molecular weight of 364.78 g/mol. Its IUPAC name is 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
PubChem CID102828573
Molecular FormulaC15H23BrClNS
Molecular Weight364.78 g/mol
Exact Mass363.04
IUPAC Name1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
SMILESCCNC(CCC1CCCCC1)c1cc(Br)c(Cl)s1
InChIInChI=1S/C15H23BrClNS/c1-2-18-13(14-10-12(16)15(17)19-14)9-8-11-6-4-3-5-7-11/h10-11,13,18H,2-9H2,1H3
InChIKeyVTWRREDRSBJVDG-UHFFFAOYSA-N
XLogP6.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.78
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine 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

1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 102827500
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102828614
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexylpropan-1-amine
CID 102828089
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
1-(5-chloro-4-methylthiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 102763726
1-(3-bromo-4-fluorophenyl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 79746697
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913
1-(4-bromo-5-chlorothiophen-2-yl)-N-ethyl-3,5,5-trimethylhexan-1-amine
CID 102828609
1-(4-bromo-3-chloro-2-fluorophenyl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 106764781

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The IUPAC name of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine (CID 102828573) is 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine is CCNC(CCC1CCCCC1)c1cc(Br)c(Cl)s1.
What is the InChIKey of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
The InChIKey is VTWRREDRSBJVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrClNS/c1-2-18-13(14-10-12(16)15(17)19-14)9-8-11-6-4-3-5-7-11/h10-11,13,18H,2-9H2,1H3.
What are the key properties of 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine?
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine has a molecular weight of 364.78 g/mol, XLogP of 6.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine is sourced from PubChem (CID 102828573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).