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

C17H15F6NO — CID 19968646

IUPAC2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESNC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-8-4-7-12(15(13)17(21,22)23)9-25-10-14(24)11-5-2-1-3-6-11/h1-8,14H,9-10,24H2
InChIKeyRIFIFWUGCHHBNJ-UHFFFAOYSA-N
MW363.30 g/mol
LogP4.94
Rot. Bonds5

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

2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (PubChem CID 19968646) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.

Molecular Properties

Compound Name2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
PubChem CID19968646
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESNC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)c1ccccc1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)13-8-4-7-12(15(13)17(21,22)23)9-25-10-14(24)11-5-2-1-3-6-11/h1-8,14H,9-10,24H2
InChIKeyRIFIFWUGCHHBNJ-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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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
(1S,3S)-3-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclopentanamine
CID 11546190
Jdh4VT5tsv
CID 11568372
(1S,3R)-3-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclopentanamine
CID 11633082
(1R,3R)-3-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclopentanamine
CID 11661655
(1R,3S)-3-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclopentanamine
CID 11683136
1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethylamine
CID 19049319

Frequently Asked Questions

What is the IUPAC name of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The IUPAC name of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (CID 19968646) is 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.
What is the SMILES notation for 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The canonical SMILES for 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is NC(COCc1cccc(C(F)(F)F)c1C(F)(F)F)c1ccccc1.
What is the InChIKey of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The InChIKey is RIFIFWUGCHHBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c18-16(19,20)13-8-4-7-12(15(13)17(21,22)23)9-25-10-14(24)11-5-2-1-3-6-11/h1-8,14H,9-10,24H2.
What are the key properties of 2-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
2-[[2,3-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-[[2,3-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is sourced from PubChem (CID 19968646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).