3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine

C24H21F6NO — CID 19049350

IUPAC3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine
SMILESNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
InChIKeyVSYVBQKQDBKTBD-UHFFFAOYSA-N
MW453.43 g/mol
LogP6.40
Rot. Bonds7

About 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine

3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine (PubChem CID 19049350) has the molecular formula C24H21F6NO and a molecular weight of 453.43 g/mol. Its IUPAC name is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine.

Molecular Properties

Compound Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine
PubChem CID19049350
Molecular FormulaC24H21F6NO
Molecular Weight453.43 g/mol
Exact Mass453.15
IUPAC Name3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine
SMILESNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2
InChIKeyVSYVBQKQDBKTBD-UHFFFAOYSA-N
XLogP6.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.43
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-3-((1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-3-phenylcyclobutanamine
CID 10216430
2-[1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-acetamide
CID 22901329
2-[(S)-1-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2,2-diphenyl-ethylamino]-acetamide
CID 44299271
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
(1S,3S)-3-((3,5-bis(trifluoromethyl)benzyloxy)methyl)-3-phenylcyclopentanamine
CID 11546190
(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
2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 19968650
(S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-1-phenyl-ethylamine
CID 22859115
(1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentanamine
CID 22885690

Frequently Asked Questions

What is the IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine?
The IUPAC name of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine (CID 19049350) is 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine.
What is the SMILES notation for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine?
The canonical SMILES for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine is NC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine?
The InChIKey is VSYVBQKQDBKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F6NO/c25-23(26,27)19-11-16(12-20(13-19)24(28,29)30)14-32-15-21(31)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-13,21-22H,14-15,31H2.
What are the key properties of 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine?
3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine has a molecular weight of 453.43 g/mol, XLogP of 6.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1,1-diphenylpropan-2-amine is sourced from PubChem (CID 19049350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).