1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine

C12H17BrClNS — CID 80531325

IUPAC1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H17BrClNS/c1-15-10(6-8-4-2-3-5-8)11-7-9(14)12(13)16-11/h7-8,10,15H,2-6H2,1H3
InChIKeyFFWQELNDVNZOGA-UHFFFAOYSA-N
MW322.70 g/mol
LogP5.00
Rot. Bonds4

About 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine

1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine (PubChem CID 80531325) has the molecular formula C12H17BrClNS and a molecular weight of 322.70 g/mol. Its IUPAC name is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine.

Molecular Properties

Compound Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
PubChem CID80531325
Molecular FormulaC12H17BrClNS
Molecular Weight322.70 g/mol
Exact Mass321.00
IUPAC Name1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine
SMILESCNC(CC1CCCC1)c1cc(Cl)c(Br)s1
InChIInChI=1S/C12H17BrClNS/c1-15-10(6-8-4-2-3-5-8)11-7-9(14)12(13)16-11/h7-8,10,15H,2-6H2,1H3
InChIKeyFFWQELNDVNZOGA-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.70
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine 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-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-methylpropan-1-amine
CID 80530913
N-[1-(5-bromo-4-chlorothiophen-2-yl)-2-cycloheptylethyl]propan-1-amine
CID 114457743
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentylethanamine
CID 80530689
1-(5-bromo-4-chlorothiophen-2-yl)-1-cyclooctyl-N-methylmethanamine
CID 80531200
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclobutylethanol
CID 103165500
1-(5-bromo-4-chlorothiophen-2-yl)-3-cyclohexyl-N-propylpropan-1-amine
CID 80532261
2-bromo-5-(1-bromo-2-cyclopropylethyl)-3-chlorothiophene
CID 80533267
2-(1-adamantyl)-1-(5-bromo-4-chlorothiophen-2-yl)-N-methylethanamine
CID 80530866
1-(5-bromo-4-chlorothiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 114874548
1-(4-bromo-2-chlorophenyl)-2-cyclohexyl-N-methylethanamine
CID 115841909
N-[(5-bromo-4-chlorothiophen-2-yl)-cycloheptylmethyl]propan-1-amine
CID 80532063
(5-bromo-4-chlorothiophen-2-yl)-cyclooctylmethanol
CID 80532299

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine?
The IUPAC name of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine (CID 80531325) is 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine.
What is the SMILES notation for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine?
The canonical SMILES for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine is CNC(CC1CCCC1)c1cc(Cl)c(Br)s1.
What is the InChIKey of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine?
The InChIKey is FFWQELNDVNZOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClNS/c1-15-10(6-8-4-2-3-5-8)11-7-9(14)12(13)16-11/h7-8,10,15H,2-6H2,1H3.
What are the key properties of 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine?
1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine has a molecular weight of 322.70 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-4-chlorothiophen-2-yl)-2-cyclopentyl-N-methylethanamine is sourced from PubChem (CID 80531325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).