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

C10H12F3NO — CID 89172569

IUPACN-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-2-14-15-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUZLAQLSBQBXIFU-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.75
Rot. Bonds4

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

N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine (PubChem CID 89172569) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
PubChem CID89172569
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC NameN-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine
SMILESCCNOCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-2-14-15-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChIKeyUZLAQLSBQBXIFU-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The IUPAC name of N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine (CID 89172569) is N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine.
What is the SMILES notation for N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The canonical SMILES for N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine is CCNOCc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
The InChIKey is UZLAQLSBQBXIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-14-15-7-8-4-3-5-9(6-8)10(11,12)13/h3-6,14H,2,7H2,1H3.
What are the key properties of N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine?
N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)phenyl]methoxy]ethanamine is sourced from PubChem (CID 89172569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).