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

C12H18BrNS — CID 102827664

IUPAC1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(Br)c(C)s1
InChIInChI=1S/C12H18BrNS/c1-3-14-11(6-9-4-5-9)12-7-10(13)8(2)15-12/h7,9,11,14H,3-6H2,1-2H3
InChIKeyHGJJSNCJGHZGPF-UHFFFAOYSA-N
MW288.25 g/mol
LogP4.27
Rot. Bonds5

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

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (PubChem CID 102827664) has the molecular formula C12H18BrNS and a molecular weight of 288.25 g/mol. Its IUPAC name is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
PubChem CID102827664
Molecular FormulaC12H18BrNS
Molecular Weight288.25 g/mol
Exact Mass287.03
IUPAC Name1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
SMILESCCNC(CC1CC1)c1cc(Br)c(C)s1
InChIInChI=1S/C12H18BrNS/c1-3-14-11(6-9-4-5-9)12-7-10(13)8(2)15-12/h7,9,11,14H,3-6H2,1-2H3
InChIKeyHGJJSNCJGHZGPF-UHFFFAOYSA-N
XLogP4.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.25
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-methylthiophen-2-yl)-2-cyclohexyl-N-ethylethanamine
CID 102827632
1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclopropyl-N-ethylethanamine
CID 102828614
1-(4-bromo-5-methylthiophen-2-yl)-3-cyclopentyl-N-ethylpropan-1-amine
CID 102827500
1-(2-bromo-5-methylphenyl)-2-cyclopropyl-N-ethylethanamine
CID 104986405
(4-bromo-5-methylthiophen-2-yl)-(4-ethylcyclohexyl)methanol
CID 102829789
1-(3-bromo-5-methylthiophen-2-yl)-2-cycloheptyl-N-ethylethanamine
CID 114457699
1-(1-benzothiophen-2-yl)-2-cyclobutyl-N-ethylethanamine
CID 115863688
N-[1-(4-bromo-5-chlorothiophen-2-yl)-2-cyclobutylethyl]propan-1-amine
CID 103163421
1-(4,5-dibromothiophen-2-yl)-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 80533971
1-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103208006
2-cyclopentyl-N-ethyl-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanamine
CID 115847120
3-bromo-5-[(4-butylcyclohexyl)-chloromethyl]-2-methylthiophene
CID 102835490

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine (CID 102827664) is 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine is CCNC(CC1CC1)c1cc(Br)c(C)s1.
What is the InChIKey of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
The InChIKey is HGJJSNCJGHZGPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNS/c1-3-14-11(6-9-4-5-9)12-7-10(13)8(2)15-12/h7,9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine?
1-(4-bromo-5-methylthiophen-2-yl)-2-cyclopropyl-N-ethylethanamine has a molecular weight of 288.25 g/mol, XLogP of 4.27, 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-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 102827664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).