2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline

C11H15FN2 — CID 105448197

IUPAC2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline
SMILESCN1CCC(c2ccc(F)c(N)c2)C1
InChIInChI=1S/C11H15FN2/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyUGEXDQQCDIJMBE-UHFFFAOYSA-N
MW194.25 g/mol
LogP1.83
Rot. Bonds1

About 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline

2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline (PubChem CID 105448197) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline
PubChem CID105448197
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline
SMILESCN1CCC(c2ccc(F)c(N)c2)C1
InChIInChI=1S/C11H15FN2/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7,13H2,1H3
InChIKeyUGEXDQQCDIJMBE-UHFFFAOYSA-N
XLogP1.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 51.83
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

3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
2-fluoro-5-(1-methylpyrrolidin-2-yl)aniline
CID 82279455
(3R)-1-methyl-3-naphthalen-2-ylpyrrolidine
CID 97355477
2-fluoro-5-piperidin-4-ylaniline
CID 24904346
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
CID 176580102
CID 176580102
2-cyclopropyl-4-(1-methylpiperidin-4-yl)aniline
CID 168888643
3-[3-(azetidin-3-yl)phenyl]-1-methylpyrrolidine
CID 116988525
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
(1-methylpyrrolidin-3-yl) 3-amino-4-fluorobenzoate
CID 112741420
1-[[3-(1-methylpyrrolidin-3-yl)phenyl]methyl]cyclopropan-1-amine
CID 117333062
1-methyl-3-(4-propan-2-ylphenyl)pyrrolidine
CID 118284741

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline?
The IUPAC name of 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline (CID 105448197) is 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline?
The canonical SMILES for 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline is CN1CCC(c2ccc(F)c(N)c2)C1.
What is the InChIKey of 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline?
The InChIKey is UGEXDQQCDIJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-14-5-4-9(7-14)8-2-3-10(12)11(13)6-8/h2-3,6,9H,4-5,7,13H2,1H3.
What are the key properties of 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline?
2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline has a molecular weight of 194.25 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1-methylpyrrolidin-3-yl)aniline is sourced from PubChem (CID 105448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).