2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine

C17H15F6NO — CID 19968650

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-6-11(7-14(8-13)17(21,22)23)9-25-10-15(24)12-4-2-1-3-5-12/h1-8,15H,9-10,24H2
InChIKeyUYZIPLMTFSGKAJ-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.94
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (PubChem CID 19968650) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
PubChem CID19968650
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-6-11(7-14(8-13)17(21,22)23)9-25-10-15(24)12-4-2-1-3-5-12/h1-8,15H,9-10,24H2
InChIKeyUYZIPLMTFSGKAJ-UHFFFAOYSA-N
XLogP4.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (CID 19968650) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The InChIKey is UYZIPLMTFSGKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c18-16(19,20)13-6-11(7-14(8-13)17(21,22)23)9-25-10-15(24)12-4-2-1-3-5-12/h1-8,15H,9-10,24H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine has a molecular weight of 363.30 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is sourced from PubChem (CID 19968650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).