1-[4-(trifluoromethoxy)phenyl]ethanamine

C9H10F3NO — CID 14883544

IUPAC1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3
InChIKeyVTLIABOHZPSHRN-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.60
Rot. Bonds2

About 1-[4-(trifluoromethoxy)phenyl]ethanamine

1-[4-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 14883544) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]ethanamine
PubChem CID14883544
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-[4-(trifluoromethoxy)phenyl]ethanamine
SMILESCC(N)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3
InChIKeyVTLIABOHZPSHRN-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]ethanamine (CID 14883544) is 1-[4-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]ethanamine is CC(N)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is VTLIABOHZPSHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-6(13)7-2-4-8(5-3-7)14-9(10,11)12/h2-6H,13H2,1H3.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]ethanamine?
1-[4-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 205.18 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 14883544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).