N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine

C13H20N2 — CID 79678667

IUPACN-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCC1C
InChIInChI=1S/C13H20N2/c1-10-8-9-15(10)13-7-5-4-6-12(13)11(2)14-3/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyWPSMNBKATHVFSX-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.57
Rot. Bonds3

About N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine

N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine (PubChem CID 79678667) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
PubChem CID79678667
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC NameN-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine
SMILESCNC(C)c1ccccc1N1CCC1C
InChIInChI=1S/C13H20N2/c1-10-8-9-15(10)13-7-5-4-6-12(13)11(2)14-3/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyWPSMNBKATHVFSX-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine?
The IUPAC name of N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine (CID 79678667) is N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine?
The canonical SMILES for N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine is CNC(C)c1ccccc1N1CCC1C.
What is the InChIKey of N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine?
The InChIKey is WPSMNBKATHVFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-8-9-15(10)13-7-5-4-6-12(13)11(2)14-3/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine?
N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine has a molecular weight of 204.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(2-methylazetidin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 79678667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).