2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline

C12H17FN2 — CID 117297873

IUPAC2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline
SMILESCN(C)c1ccc(C2CCNC2)cc1F
InChIInChI=1S/C12H17FN2/c1-15(2)12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyRASAMMYEWMPQIY-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.97
Rot. Bonds2

About 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline

2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline (PubChem CID 117297873) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline
PubChem CID117297873
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline
SMILESCN(C)c1ccc(C2CCNC2)cc1F
InChIInChI=1S/C12H17FN2/c1-15(2)12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3
InChIKeyRASAMMYEWMPQIY-UHFFFAOYSA-N
XLogP1.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline (CID 117297873) is 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline is CN(C)c1ccc(C2CCNC2)cc1F.
What is the InChIKey of 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline?
The InChIKey is RASAMMYEWMPQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(2)12-4-3-9(7-11(12)13)10-5-6-14-8-10/h3-4,7,10,14H,5-6,8H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline?
2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline has a molecular weight of 208.28 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-dimethyl-4-pyrrolidin-3-ylaniline is sourced from PubChem (CID 117297873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).