2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline

C12H16F2N2 — CID 115210125

IUPAC2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESFc1ccc(NCCC2CCCN2)c(F)c1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-12(11(14)8-9)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2
InChIKeyORRVSYQUUBSTNS-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.52
Rot. Bonds4

About 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline

2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline (PubChem CID 115210125) has the molecular formula C12H16F2N2 and a molecular weight of 226.27 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
PubChem CID115210125
Molecular FormulaC12H16F2N2
Molecular Weight226.27 g/mol
Exact Mass226.13
IUPAC Name2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline
SMILESFc1ccc(NCCC2CCCN2)c(F)c1
InChIInChI=1S/C12H16F2N2/c13-9-3-4-12(11(14)8-9)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2
InChIKeyORRVSYQUUBSTNS-UHFFFAOYSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide
CID 104972390
4-fluoro-2-iodo-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638789
2-fluoro-6-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104972838
5-bromo-2-methyl-N-(2-pyrrolidin-2-ylethyl)aniline
CID 115210168
5-fluoro-2-methyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120723547
2-fluoro-5-methoxy-4-nitro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]aniline
CID 107260550
N-[(2,4-difluorophenyl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 106638289
5-fluoro-2-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793819
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzonitrile
CID 104973065
7-chloro-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]quinolin-4-amine
CID 104973339
4,6-dimethyl-N-(2-pyrrolidin-2-ylethyl)pyrimidin-2-amine
CID 114794364
1-(4-fluorophenyl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]methanesulfonamide
CID 104972619

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline?
The IUPAC name of 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline (CID 115210125) is 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline is Fc1ccc(NCCC2CCCN2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline?
The InChIKey is ORRVSYQUUBSTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2/c13-9-3-4-12(11(14)8-9)16-7-5-10-2-1-6-15-10/h3-4,8,10,15-16H,1-2,5-7H2.
What are the key properties of 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline?
2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline has a molecular weight of 226.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-pyrrolidin-2-ylethyl)aniline is sourced from PubChem (CID 115210125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).