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

C18H17F6NO — CID 18986174

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine
SMILESCNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F6NO/c1-25-16(13-5-3-2-4-6-13)11-26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,16,25H,10-11H2,1H3
InChIKeyLFNWDUFDGSDURM-UHFFFAOYSA-N
MW377.33 g/mol
LogP5.20
Rot. Bonds6

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

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine (PubChem CID 18986174) has the molecular formula C18H17F6NO and a molecular weight of 377.33 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine
PubChem CID18986174
Molecular FormulaC18H17F6NO
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine
SMILESCNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1
InChIInChI=1S/C18H17F6NO/c1-25-16(13-5-3-2-4-6-13)11-26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,16,25H,10-11H2,1H3
InChIKeyLFNWDUFDGSDURM-UHFFFAOYSA-N
XLogP5.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.33
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 132846
CID 132846
CID 65774
CID 65774
CID 11957600
CID 11957600
CID 23647917
CID 23647917
CID 9891865
CID 9891865
CID 10128366
CID 10128366
CID 11712457
CID 11712457
CID 27139
CID 27139
CID 44331794
CID 44331794
CID 44338530
CID 44338530
CID 44346206
CID 44346206
CID 44358516
CID 44358516

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine (CID 18986174) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine is CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine?
The InChIKey is LFNWDUFDGSDURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F6NO/c1-25-16(13-5-3-2-4-6-13)11-26-10-12-7-14(17(19,20)21)9-15(8-12)18(22,23)24/h2-9,16,25H,10-11H2,1H3.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methyl-1-phenylethanamine has a molecular weight of 377.33 g/mol, XLogP of 5.20, 6 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]-N-methyl-1-phenylethanamine is sourced from PubChem (CID 18986174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).