N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine

C11H13F3N2 — CID 117002935

IUPACN-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESCNC1CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H13F3N2/c1-15-9-6-16(7-9)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyCSGLONJCNCJPST-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.11
Rot. Bonds2

About N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine

N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine (PubChem CID 117002935) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
PubChem CID117002935
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine
SMILESCNC1CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C11H13F3N2/c1-15-9-6-16(7-9)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3
InChIKeyCSGLONJCNCJPST-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
CID 43315146
(2R,6S)-1-ethyl-2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine
CID 141425766
3-methyl-1-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 123229345
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
1-[3-(trifluoromethyl)phenyl]piperidine;hydrobromide
CID 171925021
3-ethyl-1-[3-(trifluoromethyl)phenyl]piperidine
CID 130392683
5,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 117017973
N-[[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513041
7-[3-(trifluoromethyl)phenyl]-7-azabicyclo[2.2.1]heptane
CID 123494904
1-methyl-4-[1-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]piperazine
CID 154771446
2-chloro-N-[1-[3-(trifluoromethyl)phenyl]piperidin-3-yl]acetamide
CID 146485945
1-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 51063840

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine?
The IUPAC name of N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine (CID 117002935) is N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine.
What is the SMILES notation for N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine?
The canonical SMILES for N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine is CNC1CN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine?
The InChIKey is CSGLONJCNCJPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-15-9-6-16(7-9)10-4-2-3-8(5-10)11(12,13)14/h2-5,9,15H,6-7H2,1H3.
What are the key properties of N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine?
N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine has a molecular weight of 230.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-(trifluoromethyl)phenyl]azetidin-3-amine is sourced from PubChem (CID 117002935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).