N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline

C12H17FN2 — CID 84676265

IUPACN-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline
SMILESFCCNc1cccc(C2CCNC2)c1
InChIInChI=1S/C12H17FN2/c13-5-7-15-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14-15H,4-7,9H2
InChIKeyPUICJJNDQLJIAB-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.14
Rot. Bonds4

About N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline

N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline (PubChem CID 84676265) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline
PubChem CID84676265
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline
SMILESFCCNc1cccc(C2CCNC2)c1
InChIInChI=1S/C12H17FN2/c13-5-7-15-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14-15H,4-7,9H2
InChIKeyPUICJJNDQLJIAB-UHFFFAOYSA-N
XLogP2.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline?
The IUPAC name of N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline (CID 84676265) is N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline.
What is the SMILES notation for N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline?
The canonical SMILES for N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline is FCCNc1cccc(C2CCNC2)c1.
What is the InChIKey of N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline?
The InChIKey is PUICJJNDQLJIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-5-7-15-12-3-1-2-10(8-12)11-4-6-14-9-11/h1-3,8,11,14-15H,4-7,9H2.
What are the key properties of N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline?
N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline has a molecular weight of 208.28 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-pyrrolidin-3-ylaniline is sourced from PubChem (CID 84676265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).