2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

C24H24F3NO — CID 10431038

IUPAC2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c1-28(17-23(29-2)20-8-4-3-5-9-20)16-18-12-14-19(15-13-18)21-10-6-7-11-22(21)24(25,26)27/h3-15,23H,16-17H2,1-2H3
InChIKeyMCZZYDPALVMSRU-UHFFFAOYSA-N
MW399.46 g/mol
LogP6.19
Rot. Bonds7

About 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine

2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (PubChem CID 10431038) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
PubChem CID10431038
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine
SMILESCOC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c1-28(17-23(29-2)20-8-4-3-5-9-20)16-18-12-14-19(15-13-18)21-10-6-7-11-22(21)24(25,26)27/h3-15,23H,16-17H2,1-2H3
InChIKeyMCZZYDPALVMSRU-UHFFFAOYSA-N
XLogP6.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine (CID 10431038) is 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is COC(CN(C)Cc1ccc(-c2ccccc2C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
The InChIKey is MCZZYDPALVMSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO/c1-28(17-23(29-2)20-8-4-3-5-9-20)16-18-12-14-19(15-13-18)21-10-6-7-11-22(21)24(25,26)27/h3-15,23H,16-17H2,1-2H3.
What are the key properties of 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine?
2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine has a molecular weight of 399.46 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-phenyl-N-[[4-[2-(trifluoromethyl)phenyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 10431038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).