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

C23H19F6NO — CID 19968640

IUPAC2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine
SMILESNC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F6NO/c24-22(25,26)19-13-7-8-16(20(19)23(27,28)29)14-31-15-21(30,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13H,14-15,30H2
InChIKeyXSOKGTYOZOCNDR-UHFFFAOYSA-N
MW439.40 g/mol
LogP6.14
Rot. Bonds6

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

2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine (PubChem CID 19968640) has the molecular formula C23H19F6NO and a molecular weight of 439.40 g/mol. Its IUPAC name is 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine.

Molecular Properties

Compound Name2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine
PubChem CID19968640
Molecular FormulaC23H19F6NO
Molecular Weight439.40 g/mol
Exact Mass439.14
IUPAC Name2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine
SMILESNC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H19F6NO/c24-22(25,26)19-13-7-8-16(20(19)23(27,28)29)14-31-15-21(30,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13H,14-15,30H2
InChIKeyXSOKGTYOZOCNDR-UHFFFAOYSA-N
XLogP6.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.40
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine?
The IUPAC name of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine (CID 19968640) is 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine.
What is the SMILES notation for 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine?
The canonical SMILES for 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine is NC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine?
The InChIKey is XSOKGTYOZOCNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F6NO/c24-22(25,26)19-13-7-8-16(20(19)23(27,28)29)14-31-15-21(30,17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-13H,14-15,30H2.
What are the key properties of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine?
2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine has a molecular weight of 439.40 g/mol, XLogP of 6.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylethanamine is sourced from PubChem (CID 19968640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).