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

C14H14ClNS — CID 81251828

IUPAC2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H14ClNS/c1-9-4-2-3-5-11(9)16-12-6-7-13-10(12)8-14(15)17-13/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRGNWEGPKWTVENM-UHFFFAOYSA-N
MW263.79 g/mol
LogP4.81
Rot. Bonds2

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

2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (PubChem CID 81251828) has the molecular formula C14H14ClNS and a molecular weight of 263.79 g/mol. Its IUPAC name is 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.

Molecular Properties

Compound Name2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
PubChem CID81251828
Molecular FormulaC14H14ClNS
Molecular Weight263.79 g/mol
Exact Mass263.05
IUPAC Name2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
SMILESCc1ccccc1NC1CCc2sc(Cl)cc21
InChIInChI=1S/C14H14ClNS/c1-9-4-2-3-5-11(9)16-12-6-7-13-10(12)8-14(15)17-13/h2-5,8,12,16H,6-7H2,1H3
InChIKeyRGNWEGPKWTVENM-UHFFFAOYSA-N
XLogP4.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.79
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The IUPAC name of 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine (CID 81251828) is 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine.
What is the SMILES notation for 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The canonical SMILES for 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is Cc1ccccc1NC1CCc2sc(Cl)cc21.
What is the InChIKey of 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
The InChIKey is RGNWEGPKWTVENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNS/c1-9-4-2-3-5-11(9)16-12-6-7-13-10(12)8-14(15)17-13/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of 2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine?
2-chloro-N-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine has a molecular weight of 263.79 g/mol, XLogP of 4.81, 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-methylphenyl)-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine is sourced from PubChem (CID 81251828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).