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

C12H17FN2 — CID 116679881

IUPACN-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
SMILESCN(CCC1CNC1)c1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-15(6-5-10-8-14-9-10)12-4-2-3-11(13)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3
InChIKeyYUETZNJMLAYJQB-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.87
Rot. Bonds4

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

N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline (PubChem CID 116679881) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline.

Molecular Properties

Compound NameN-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
PubChem CID116679881
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline
SMILESCN(CCC1CNC1)c1cccc(F)c1
InChIInChI=1S/C12H17FN2/c1-15(6-5-10-8-14-9-10)12-4-2-3-11(13)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3
InChIKeyYUETZNJMLAYJQB-UHFFFAOYSA-N
XLogP1.87
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.87
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)ethyl]-3-fluoro-N-methylaniline?
The IUPAC name of N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline (CID 116679881) is N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline.
What is the SMILES notation for N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline?
The canonical SMILES for N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline is CN(CCC1CNC1)c1cccc(F)c1.
What is the InChIKey of N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline?
The InChIKey is YUETZNJMLAYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-15(6-5-10-8-14-9-10)12-4-2-3-11(13)7-12/h2-4,7,10,14H,5-6,8-9H2,1H3.
What are the key properties of N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline?
N-[2-(azetidin-3-yl)ethyl]-3-fluoro-N-methylaniline has a molecular weight of 208.28 g/mol, XLogP of 1.87, 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)ethyl]-3-fluoro-N-methylaniline is sourced from PubChem (CID 116679881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).