1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine

C15H24BrNS — CID 102827632

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1cc(Br)c(C)s1
InChIInChI=1S/C15H24BrNS/c1-3-17-14(9-12-7-5-4-6-8-12)15-10-13(16)11(2)18-15/h10,12,14,17H,3-9H2,1-2H3
InChIKeyLGATVNIEMYCDRU-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.44
Rot. Bonds5

About 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine (PubChem CID 102827632) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
PubChem CID102827632
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
SMILESCCNC(CC1CCCCC1)c1cc(Br)c(C)s1
InChIInChI=1S/C15H24BrNS/c1-3-17-14(9-12-7-5-4-6-8-12)15-10-13(16)11(2)18-15/h10,12,14,17H,3-9H2,1-2H3
InChIKeyLGATVNIEMYCDRU-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102827664
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 102827500
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102828614
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)-N-ethylethanamine
CID 43493192
1-(4-bromo-5-chlorothiophen-2-yl)-3-cyclohexyl-N-ethylpropan-1-amine
CID 102828573
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
2-cyclohexyl-1-(2,5-dibromophenyl)-N-ethylethanamine
CID 43489649
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
1-(4-bromo-2,5-difluorophenyl)-2-cycloheptyl-N-ethylethanamine
CID 114457690
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine (CID 102827632) is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine is CCNC(CC1CCCCC1)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine?
The InChIKey is LGATVNIEMYCDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-3-17-14(9-12-7-5-4-6-8-12)15-10-13(16)11(2)18-15/h10,12,14,17H,3-9H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine has a molecular weight of 330.34 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine is sourced from PubChem (CID 102827632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).