2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

C15H22ClFN2 — CID 114453514

IUPAC2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-3-14-5-4-10(2)19(14)15(9-18)11-6-12(16)8-13(17)7-11/h6-8,10,14-15H,3-5,9,18H2,1-2H3
InChIKeyNXCWQEMKXYQVMR-UHFFFAOYSA-N
MW284.81 g/mol
LogP3.74
Rot. Bonds4

About 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine

2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (PubChem CID 114453514) has the molecular formula C15H22ClFN2 and a molecular weight of 284.81 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
PubChem CID114453514
Molecular FormulaC15H22ClFN2
Molecular Weight284.81 g/mol
Exact Mass284.15
IUPAC Name2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCC(C)N1C(CN)c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H22ClFN2/c1-3-14-5-4-10(2)19(14)15(9-18)11-6-12(16)8-13(17)7-11/h6-8,10,14-15H,3-5,9,18H2,1-2H3
InChIKeyNXCWQEMKXYQVMR-UHFFFAOYSA-N
XLogP3.74
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine (CID 114453514) is 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is CCC1CCC(C)N1C(CN)c1cc(F)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
The InChIKey is NXCWQEMKXYQVMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClFN2/c1-3-14-5-4-10(2)19(14)15(9-18)11-6-12(16)8-13(17)7-11/h6-8,10,14-15H,3-5,9,18H2,1-2H3.
What are the key properties of 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine?
2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine has a molecular weight of 284.81 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 114453514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).