2-(azetidin-3-yl)-N,N-dimethylaniline

C11H16N2 — CID 84655728

IUPAC2-(azetidin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C1CNC1
InChIInChI=1S/C11H16N2/c1-13(2)11-6-4-3-5-10(11)9-7-12-8-9/h3-6,9,12H,7-8H2,1-2H3
InChIKeyDSTGQLCPCAABON-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.44
Rot. Bonds2

About 2-(azetidin-3-yl)-N,N-dimethylaniline

2-(azetidin-3-yl)-N,N-dimethylaniline (PubChem CID 84655728) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N,N-dimethylaniline
PubChem CID84655728
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(azetidin-3-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1C1CNC1
InChIInChI=1S/C11H16N2/c1-13(2)11-6-4-3-5-10(11)9-7-12-8-9/h3-6,9,12H,7-8H2,1-2H3
InChIKeyDSTGQLCPCAABON-UHFFFAOYSA-N
XLogP1.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(azetidin-3-yl)-N,N-dimethylaniline (CID 84655728) is 2-(azetidin-3-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(azetidin-3-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(azetidin-3-yl)-N,N-dimethylaniline is CN(C)c1ccccc1C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N,N-dimethylaniline?
The InChIKey is DSTGQLCPCAABON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-13(2)11-6-4-3-5-10(11)9-7-12-8-9/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N,N-dimethylaniline?
2-(azetidin-3-yl)-N,N-dimethylaniline has a molecular weight of 176.26 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N,N-dimethylaniline is sourced from PubChem (CID 84655728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).