N-(azetidin-3-ylmethyl)-3-methylaniline

C11H16N2 — CID 84655686

IUPACN-(azetidin-3-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CNC2)c1
InChIInChI=1S/C11H16N2/c1-9-3-2-4-11(5-9)13-8-10-6-12-7-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyOYVMRBAHTXLNJU-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.63
Rot. Bonds3

About N-(azetidin-3-ylmethyl)-3-methylaniline

N-(azetidin-3-ylmethyl)-3-methylaniline (PubChem CID 84655686) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-(azetidin-3-ylmethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(azetidin-3-ylmethyl)-3-methylaniline
PubChem CID84655686
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-(azetidin-3-ylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CNC2)c1
InChIInChI=1S/C11H16N2/c1-9-3-2-4-11(5-9)13-8-10-6-12-7-10/h2-5,10,12-13H,6-8H2,1H3
InChIKeyOYVMRBAHTXLNJU-UHFFFAOYSA-N
XLogP1.63
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-ylmethyl)-3-methylaniline?
The IUPAC name of N-(azetidin-3-ylmethyl)-3-methylaniline (CID 84655686) is N-(azetidin-3-ylmethyl)-3-methylaniline.
What is the SMILES notation for N-(azetidin-3-ylmethyl)-3-methylaniline?
The canonical SMILES for N-(azetidin-3-ylmethyl)-3-methylaniline is Cc1cccc(NCC2CNC2)c1.
What is the InChIKey of N-(azetidin-3-ylmethyl)-3-methylaniline?
The InChIKey is OYVMRBAHTXLNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-3-2-4-11(5-9)13-8-10-6-12-7-10/h2-5,10,12-13H,6-8H2,1H3.
What are the key properties of N-(azetidin-3-ylmethyl)-3-methylaniline?
N-(azetidin-3-ylmethyl)-3-methylaniline has a molecular weight of 176.26 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-ylmethyl)-3-methylaniline is sourced from PubChem (CID 84655686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).