N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine

C10H12F3NO — CID 2199959

IUPACN-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
SMILESCNCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-14-5-6-15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14H,5-6H2,1H3
InChIKeyBIWCWSCXFKMIQU-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.30
Rot. Bonds4

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

N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 2199959) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
PubChem CID2199959
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine
SMILESCNCCOc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-14-5-6-15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14H,5-6H2,1H3
InChIKeyBIWCWSCXFKMIQU-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine (CID 2199959) is N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine is CNCCOc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is BIWCWSCXFKMIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-14-5-6-15-9-4-2-3-8(7-9)10(11,12)13/h2-4,7,14H,5-6H2,1H3.
What are the key properties of N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine?
N-methyl-2-[3-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.30, 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]ethanamine is sourced from PubChem (CID 2199959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).