N-(3,4-difluorophenyl)-N-methylazetidin-3-amine

C10H12F2N2 — CID 117040558

IUPACN-(3,4-difluorophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(F)c(F)c1)C1CNC1
InChIInChI=1S/C10H12F2N2/c1-14(8-5-13-6-8)7-2-3-9(11)10(12)4-7/h2-4,8,13H,5-6H2,1H3
InChIKeyZUBPEAVROWDDPH-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.37
Rot. Bonds2

About N-(3,4-difluorophenyl)-N-methylazetidin-3-amine

N-(3,4-difluorophenyl)-N-methylazetidin-3-amine (PubChem CID 117040558) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-methylazetidin-3-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-methylazetidin-3-amine
PubChem CID117040558
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-(3,4-difluorophenyl)-N-methylazetidin-3-amine
SMILESCN(c1ccc(F)c(F)c1)C1CNC1
InChIInChI=1S/C10H12F2N2/c1-14(8-5-13-6-8)7-2-3-9(11)10(12)4-7/h2-4,8,13H,5-6H2,1H3
InChIKeyZUBPEAVROWDDPH-UHFFFAOYSA-N
XLogP1.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(3,4-difluorophenyl)-N-methylazetidin-3-amine 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-(3,4-difluorophenyl)-N-methylazetidin-3-amine?
The IUPAC name of N-(3,4-difluorophenyl)-N-methylazetidin-3-amine (CID 117040558) is N-(3,4-difluorophenyl)-N-methylazetidin-3-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-methylazetidin-3-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-N-methylazetidin-3-amine is CN(c1ccc(F)c(F)c1)C1CNC1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-methylazetidin-3-amine?
The InChIKey is ZUBPEAVROWDDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-14(8-5-13-6-8)7-2-3-9(11)10(12)4-7/h2-4,8,13H,5-6H2,1H3.
What are the key properties of N-(3,4-difluorophenyl)-N-methylazetidin-3-amine?
N-(3,4-difluorophenyl)-N-methylazetidin-3-amine has a molecular weight of 198.22 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-methylazetidin-3-amine is sourced from PubChem (CID 117040558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).