2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

C13H11ClINS — CID 81252050

IUPAC2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccccc1I
InChIInChI=1S/C13H11ClINS/c14-13-7-8-10(5-6-12(8)17-13)16-11-4-2-1-3-9(11)15/h1-4,7,10,16H,5-6H2
InChIKeyFSTUHLQQBPWFML-UHFFFAOYSA-N
MW375.66 g/mol
LogP5.11
Rot. Bonds2

About 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine

2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81252050) has the molecular formula C13H11ClINS and a molecular weight of 375.66 g/mol. Its IUPAC name is 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81252050
Molecular FormulaC13H11ClINS
Molecular Weight375.66 g/mol
Exact Mass374.93
IUPAC Name2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESClc1cc2c(s1)CCC2Nc1ccccc1I
InChIInChI=1S/C13H11ClINS/c14-13-7-8-10(5-6-12(8)17-13)16-11-4-2-1-3-9(11)15/h1-4,7,10,16H,5-6H2
InChIKeyFSTUHLQQBPWFML-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.66
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251828
2-chloro-N-(2,3-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252677
[2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]phenyl]methanol
CID 81252902
2-chloro-N-[2-[(dimethylamino)methyl]phenyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251416
5-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]naphthalen-1-ol
CID 81233900
N-(3-bromo-2-methylphenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 107629950
2-chloro-N-(2-fluorophenyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 82686846
2-chloro-N-(2,4-dibromophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251839
N-(4-bromo-2-chlorophenyl)-2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81251718
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)quinolin-5-amine
CID 81234819
N-(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)-2-ethoxypyridin-3-amine
CID 81252058
2-chloro-N-(3,4-dichlorophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 81252155

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81252050) is 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Clc1cc2c(s1)CCC2Nc1ccccc1I.
What is the InChIKey of 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is FSTUHLQQBPWFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClINS/c14-13-7-8-10(5-6-12(8)17-13)16-11-4-2-1-3-9(11)15/h1-4,7,10,16H,5-6H2.
What are the key properties of 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 375.66 g/mol, XLogP of 5.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-iodophenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81252050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).