1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine

C15H21FN2 — CID 62982821

IUPAC1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
SMILESFc1ccc(CCNC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-13-3-1-12(2-4-13)7-9-17-14-8-10-18(11-14)15-5-6-15/h1-4,14-15,17H,5-11H2
InChIKeyPISKELXEYGULST-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.19
Rot. Bonds5

About 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine

1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine (PubChem CID 62982821) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
PubChem CID62982821
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine
SMILESFc1ccc(CCNC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21FN2/c16-13-3-1-12(2-4-13)7-9-17-14-8-10-18(11-14)15-5-6-15/h1-4,14-15,17H,5-11H2
InChIKeyPISKELXEYGULST-UHFFFAOYSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine (CID 62982821) is 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine is Fc1ccc(CCNC2CCN(C3CC3)C2)cc1.
What is the InChIKey of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is PISKELXEYGULST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c16-13-3-1-12(2-4-13)7-9-17-14-8-10-18(11-14)15-5-6-15/h1-4,14-15,17H,5-11H2.
What are the key properties of 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine?
1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 248.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 62982821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).