3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline

C11H15FN2 — CID 63089664

IUPAC3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCNc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H15FN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyQDSUAOHPXUCNAE-UHFFFAOYSA-N
MW194.25 g/mol
LogP2.47
Rot. Bonds2

About 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline

3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 63089664) has the molecular formula C11H15FN2 and a molecular weight of 194.25 g/mol. Its IUPAC name is 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline
PubChem CID63089664
Molecular FormulaC11H15FN2
Molecular Weight194.25 g/mol
Exact Mass194.12
IUPAC Name3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline
SMILESCNc1ccc(N2CCCC2)c(F)c1
InChIInChI=1S/C11H15FN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3
InChIKeyQDSUAOHPXUCNAE-UHFFFAOYSA-N
XLogP2.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline (CID 63089664) is 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline is CNc1ccc(N2CCCC2)c(F)c1.
What is the InChIKey of 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is QDSUAOHPXUCNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2/c1-13-9-4-5-11(10(12)8-9)14-6-2-3-7-14/h4-5,8,13H,2-3,6-7H2,1H3.
What are the key properties of 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline?
3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 194.25 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 63089664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).