2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline

C12H17FN2 — CID 83855726

IUPAC2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN1CCCC1C(F)c1ccccc1N
InChIInChI=1S/C12H17FN2/c1-15-8-4-7-11(15)12(13)9-5-2-3-6-10(9)14/h2-3,5-6,11-12H,4,7-8,14H2,1H3
InChIKeyQFJDGOYBPZMTRH-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.37
Rot. Bonds2

About 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline

2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline (PubChem CID 83855726) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline
PubChem CID83855726
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline
SMILESCN1CCCC1C(F)c1ccccc1N
InChIInChI=1S/C12H17FN2/c1-15-8-4-7-11(15)12(13)9-5-2-3-6-10(9)14/h2-3,5-6,11-12H,4,7-8,14H2,1H3
InChIKeyQFJDGOYBPZMTRH-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline?
The IUPAC name of 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline (CID 83855726) is 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline.
What is the SMILES notation for 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline?
The canonical SMILES for 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline is CN1CCCC1C(F)c1ccccc1N.
What is the InChIKey of 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline?
The InChIKey is QFJDGOYBPZMTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15-8-4-7-11(15)12(13)9-5-2-3-6-10(9)14/h2-3,5-6,11-12H,4,7-8,14H2,1H3.
What are the key properties of 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline?
2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline has a molecular weight of 208.28 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[fluoro-(1-methylpyrrolidin-2-yl)methyl]aniline is sourced from PubChem (CID 83855726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).