2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline

C13H19FN2 — CID 117118269

IUPAC2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
SMILESCN(C)c1c(F)cccc1CC1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(2)13-10(5-3-7-12(13)14)9-11-6-4-8-15-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3
InChIKeyICZSMNFTPZKUJP-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.19
Rot. Bonds3

About 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline

2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline (PubChem CID 117118269) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
PubChem CID117118269
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
SMILESCN(C)c1c(F)cccc1CC1CCCN1
InChIInChI=1S/C13H19FN2/c1-16(2)13-10(5-3-7-12(13)14)9-11-6-4-8-15-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3
InChIKeyICZSMNFTPZKUJP-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)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-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
CID 117117895
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-fluoro-6-methylsulfanylphenyl)methyl]pyrrolidine
CID 117324200
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline?
The IUPAC name of 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline (CID 117118269) is 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline?
The canonical SMILES for 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline is CN(C)c1c(F)cccc1CC1CCCN1.
What is the InChIKey of 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline?
The InChIKey is ICZSMNFTPZKUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-16(2)13-10(5-3-7-12(13)14)9-11-6-4-8-15-11/h3,5,7,11,15H,4,6,8-9H2,1-2H3.
What are the key properties of 2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline?
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline has a molecular weight of 222.31 g/mol, XLogP of 2.19, 3 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-6-(pyrrolidin-2-ylmethyl)aniline is sourced from PubChem (CID 117118269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).