2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline

C12H17FN2 — CID 79189175

IUPAC2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline
SMILESCC1CN(c2ccc(F)cc2N)CC1C
InChIInChI=1S/C12H17FN2/c1-8-6-15(7-9(8)2)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyPWOJGZAZJQZGFM-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.50
Rot. Bonds1

About 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline

2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline (PubChem CID 79189175) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline
PubChem CID79189175
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline
SMILESCC1CN(c2ccc(F)cc2N)CC1C
InChIInChI=1S/C12H17FN2/c1-8-6-15(7-9(8)2)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3
InChIKeyPWOJGZAZJQZGFM-UHFFFAOYSA-N
XLogP2.50
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-4-fluorophenyl)pyrrolidine-3,4-diol
CID 106667409
2-(3-ethylazetidin-1-yl)-5-fluoroaniline
CID 79689428
2-(4-ethyl-3-methylpiperazin-1-yl)-5-fluoroaniline
CID 63610820
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrrolidin-3-amine
CID 63164395
2-(azepan-1-yl)-5-fluoroaniline
CID 6485407
2-(azocan-1-yl)-5-fluoroaniline
CID 28799703
5-fluoro-2-piperidin-1-ylaniline
CID 6485403
1-(2-amino-5-fluorophenyl)-3-methylpiperidin-4-ol
CID 114677776
1-[2-(3,4-dimethylpyrrolidin-1-yl)-5-fluorophenyl]-N-methylethanamine
CID 79188631
1-(2-amino-4-fluorophenyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 103499448
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]aniline
CID 63971118
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline?
The IUPAC name of 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline (CID 79189175) is 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline?
The canonical SMILES for 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline is CC1CN(c2ccc(F)cc2N)CC1C.
What is the InChIKey of 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline?
The InChIKey is PWOJGZAZJQZGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8-6-15(7-9(8)2)12-4-3-10(13)5-11(12)14/h3-5,8-9H,6-7,14H2,1-2H3.
What are the key properties of 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline?
2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline has a molecular weight of 208.28 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrrolidin-1-yl)-5-fluoroaniline is sourced from PubChem (CID 79189175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).