2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

C15H20ClFN2O — CID 120966865

IUPAC2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESNC1CCC2CN(CCOc3ccc(F)cc3Cl)CC12
InChIInChI=1S/C15H20ClFN2O/c16-13-7-11(17)2-4-15(13)20-6-5-19-8-10-1-3-14(18)12(10)9-19/h2,4,7,10,12,14H,1,3,5-6,8-9,18H2
InChIKeyIIKRESXXQFIFFA-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.53
Rot. Bonds4

About 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine

2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (PubChem CID 120966865) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.

Molecular Properties

Compound Name2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
PubChem CID120966865
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
SMILESNC1CCC2CN(CCOc3ccc(F)cc3Cl)CC12
InChIInChI=1S/C15H20ClFN2O/c16-13-7-11(17)2-4-15(13)20-6-5-19-8-10-1-3-14(18)12(10)9-19/h2,4,7,10,12,14H,1,3,5-6,8-9,18H2
InChIKeyIIKRESXXQFIFFA-UHFFFAOYSA-N
XLogP2.53
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The IUPAC name of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine (CID 120966865) is 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine.
What is the SMILES notation for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The canonical SMILES for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is NC1CCC2CN(CCOc3ccc(F)cc3Cl)CC12.
What is the InChIKey of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
The InChIKey is IIKRESXXQFIFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-13-7-11(17)2-4-15(13)20-6-5-19-8-10-1-3-14(18)12(10)9-19/h2,4,7,10,12,14H,1,3,5-6,8-9,18H2.
What are the key properties of 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine?
2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine has a molecular weight of 298.79 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-4-fluorophenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine is sourced from PubChem (CID 120966865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).