N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine

C11H14F3NO — CID 62338555

IUPACN-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCNCCOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyIYLUYPBGBLXVIB-UHFFFAOYSA-N
MW233.23 g/mol
LogP2.44
Rot. Bonds5

About N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine

N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 62338555) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID62338555
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC NameN-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCNCCOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H14F3NO/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3
InChIKeyIYLUYPBGBLXVIB-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
N-[[3-(trifluoromethyl)phenyl]methoxy]methanamine
CID 22356645
5-[[3-(trifluoromethyl)phenyl]methoxy]pentanal
CID 88661890
2-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 106451262
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine;molecular hydrogen
CID 145483676
N-(2-methoxyethoxy)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 82714881
N-methyl-1-[5-[[3-(trifluoromethyl)phenyl]methoxy]-2-pyridinyl]methanamine
CID 79782023
1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
N-methyl-1-[3-(2,2,2-trifluoroethoxymethyl)phenyl]methanamine
CID 62444453
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 28673176
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 62338555) is N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine is CNCCOCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is IYLUYPBGBLXVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-15-5-6-16-8-9-3-2-4-10(7-9)11(12,13)14/h2-4,7,15H,5-6,8H2,1H3.
What are the key properties of N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
N-methyl-2-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 233.23 g/mol, XLogP of 2.44, 5 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)phenyl]methoxy]ethanamine is sourced from PubChem (CID 62338555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).