3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline

C13H19FN2 — CID 115885020

IUPAC3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
SMILESCC(C)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-10(2)15-12-7-11(14)8-13(9-12)16-5-3-4-6-16/h7-10,15H,3-6H2,1-2H3
InChIKeyRHSMJVUJGIFBLI-UHFFFAOYSA-N
MW222.31 g/mol
LogP3.25
Rot. Bonds3

About 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline

3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline (PubChem CID 115885020) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
PubChem CID115885020
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline
SMILESCC(C)Nc1cc(F)cc(N2CCCC2)c1
InChIInChI=1S/C13H19FN2/c1-10(2)15-12-7-11(14)8-13(9-12)16-5-3-4-6-16/h7-10,15H,3-6H2,1-2H3
InChIKeyRHSMJVUJGIFBLI-UHFFFAOYSA-N
XLogP3.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline?
The IUPAC name of 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline (CID 115885020) is 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline is CC(C)Nc1cc(F)cc(N2CCCC2)c1.
What is the InChIKey of 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline?
The InChIKey is RHSMJVUJGIFBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(2)15-12-7-11(14)8-13(9-12)16-5-3-4-6-16/h7-10,15H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline?
3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline has a molecular weight of 222.31 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-propan-2-yl-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 115885020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).