N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

C12H14F3NO — CID 112547441

IUPACN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESCNC1CC1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3
InChIKeyJZBJLUVLZHBICP-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.69
Rot. Bonds4

About N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine

N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (PubChem CID 112547441) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
PubChem CID112547441
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine
SMILESCNC1CC1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3
InChIKeyJZBJLUVLZHBICP-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-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-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine (CID 112547441) is N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is CNC1CC1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
The InChIKey is JZBJLUVLZHBICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-16-11-5-8(11)7-17-10-4-2-3-9(6-10)12(13,14)15/h2-4,6,8,11,16H,5,7H2,1H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine?
N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine has a molecular weight of 245.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[[3-(trifluoromethyl)phenoxy]methyl]cyclopropan-1-amine is sourced from PubChem (CID 112547441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).