2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine

C10H12F3NO — CID 16783958

IUPAC2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyBJJLLHRPTHUESQ-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.35
Rot. Bonds3

About 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine

2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 16783958) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID16783958
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCOCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9H,6,14H2,1H3
InChIKeyBJJLLHRPTHUESQ-UHFFFAOYSA-N
XLogP2.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 16783958) is 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine is COCC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is BJJLLHRPTHUESQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9H,6,14H2,1H3.
What are the key properties of 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine?
2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 219.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 16783958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).