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

C17H15F6NO — CID 22859115

IUPAC(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESN[C@H](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/t15-/m1/s1
InChIKeyUYZIPLMTFSGKAJ-OAHLLOKOSA-N
MW363.30 g/mol
LogP4.94
Rot. Bonds5

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

(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (PubChem CID 22859115) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.

Molecular Properties

Compound Name(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
PubChem CID22859115
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name(1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine
SMILESN[C@H](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/t15-/m1/s1
InChIKeyUYZIPLMTFSGKAJ-OAHLLOKOSA-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
(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 9887525
(2R,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10501444
(2R,3R)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10692651
(2S,3R)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10811257
(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

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The IUPAC name of (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine (CID 22859115) is (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine.
What is the SMILES notation for (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The canonical SMILES for (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1.
What is the InChIKey of (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
The InChIKey is UYZIPLMTFSGKAJ-OAHLLOKOSA-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/t15-/m1/s1.
What are the key properties of (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine?
(1S)-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 (1S)-2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethanamine is sourced from PubChem (CID 22859115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).