2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

C15H20ClFN2 — CID 115559256

IUPAC2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CC2CCCC2C1
InChIInChI=1S/C15H20ClFN2/c16-12-5-2-6-13(17)15(12)14(7-18)19-8-10-3-1-4-11(10)9-19/h2,5-6,10-11,14H,1,3-4,7-9,18H2
InChIKeyVJOYJXPZGDQOPJ-UHFFFAOYSA-N
MW282.79 g/mol
LogP3.21
Rot. Bonds3

About 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (PubChem CID 115559256) has the molecular formula C15H20ClFN2 and a molecular weight of 282.79 g/mol. Its IUPAC name is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
PubChem CID115559256
Molecular FormulaC15H20ClFN2
Molecular Weight282.79 g/mol
Exact Mass282.13
IUPAC Name2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
SMILESNCC(c1c(F)cccc1Cl)N1CC2CCCC2C1
InChIInChI=1S/C15H20ClFN2/c16-12-5-2-6-13(17)15(12)14(7-18)19-8-10-3-1-4-11(10)9-19/h2,5-6,10-11,14H,1,3-4,7-9,18H2
InChIKeyVJOYJXPZGDQOPJ-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.79
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The IUPAC name of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine (CID 115559256) is 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The canonical SMILES for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is NCC(c1c(F)cccc1Cl)N1CC2CCCC2C1.
What is the InChIKey of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
The InChIKey is VJOYJXPZGDQOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2/c16-12-5-2-6-13(17)15(12)14(7-18)19-8-10-3-1-4-11(10)9-19/h2,5-6,10-11,14H,1,3-4,7-9,18H2.
What are the key properties of 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine?
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine has a molecular weight of 282.79 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine is sourced from PubChem (CID 115559256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).