N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline

C13H19FN2 — CID 116679851

IUPACN-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline
SMILESCC(CN(C)c1ccc(F)cc1)C1CNC1
InChIInChI=1S/C13H19FN2/c1-10(11-7-15-8-11)9-16(2)13-5-3-12(14)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyGIAHQHZDBQYBPR-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.12
Rot. Bonds4

About N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline

N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline (PubChem CID 116679851) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline
PubChem CID116679851
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC NameN-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline
SMILESCC(CN(C)c1ccc(F)cc1)C1CNC1
InChIInChI=1S/C13H19FN2/c1-10(11-7-15-8-11)9-16(2)13-5-3-12(14)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3
InChIKeyGIAHQHZDBQYBPR-UHFFFAOYSA-N
XLogP2.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline?
The IUPAC name of N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline (CID 116679851) is N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline.
What is the SMILES notation for N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline?
The canonical SMILES for N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline is CC(CN(C)c1ccc(F)cc1)C1CNC1.
What is the InChIKey of N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline?
The InChIKey is GIAHQHZDBQYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-10(11-7-15-8-11)9-16(2)13-5-3-12(14)4-6-13/h3-6,10-11,15H,7-9H2,1-2H3.
What are the key properties of N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline?
N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline has a molecular weight of 222.31 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azetidin-3-yl)propyl]-4-fluoro-N-methylaniline is sourced from PubChem (CID 116679851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).