N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine

C11H12F3N3O2 — CID 66181419

IUPACN-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CNC1
InChIInChI=1S/C11H12F3N3O2/c1-16(8-5-15-6-8)10-3-2-7(17(18)19)4-9(10)11(12,13)14/h2-4,8,15H,5-6H2,1H3
InChIKeyIIWNMWRFPCIAMF-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.02
Rot. Bonds3

About N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine

N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine (PubChem CID 66181419) has the molecular formula C11H12F3N3O2 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
PubChem CID66181419
Molecular FormulaC11H12F3N3O2
Molecular Weight275.23 g/mol
Exact Mass275.09
IUPAC NameN-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESCN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CNC1
InChIInChI=1S/C11H12F3N3O2/c1-16(8-5-15-6-8)10-3-2-7(17(18)19)4-9(10)11(12,13)14/h2-4,8,15H,5-6H2,1H3
InChIKeyIIWNMWRFPCIAMF-UHFFFAOYSA-N
XLogP2.02
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-N-methylazetidin-3-amine
CID 66181832
2-[azetidin-3-yl(methyl)amino]-5-nitrobenzonitrile
CID 66183972
N-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 106618663
2-[N-cyclobutyl-4-nitro-2-(trifluoromethyl)anilino]ethanol
CID 102869037
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 133288024
N-methyl-N-(2-methyl-5-nitrophenyl)pyrrolidin-3-amine
CID 63301746
N-[2-[N-methyl-4-nitro-2-(trifluoromethyl)anilino]ethyl]benzamide
CID 166428251
4-[azetidin-3-yl(methyl)amino]-3-nitrobenzenesulfonamide
CID 66181631
N-methyl-N-(2-methyl-4-nitrophenyl)azepan-4-amine
CID 107173916
2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 18543617
N-[2-(difluoromethyl)-4-nitrophenyl]-N-methylazepan-4-amine
CID 107174295
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-nitro-2-(trifluoromethyl)aniline
CID 133431909

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine (CID 66181419) is N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine is CN(c1ccc([N+](=O)[O-])cc1C(F)(F)F)C1CNC1.
What is the InChIKey of N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is IIWNMWRFPCIAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O2/c1-16(8-5-15-6-8)10-3-2-7(17(18)19)4-9(10)11(12,13)14/h2-4,8,15H,5-6H2,1H3.
What are the key properties of N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine?
N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine has a molecular weight of 275.23 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-nitro-2-(trifluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 66181419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).