(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine

C24H24F3NO — CID 130253876

IUPAC(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
SMILESNC[C@H](OCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c25-24(26,27)22-14-12-19(13-15-22)7-6-18-8-10-20(11-9-18)17-29-23(16-28)21-4-2-1-3-5-21/h1-5,8-15,23H,6-7,16-17,28H2/t23-/m0/s1
InChIKeyIRGSJOIWAZCNDF-QHCPKHFHSA-N
MW399.46 g/mol
LogP5.71
Rot. Bonds8

About (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine

(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine (PubChem CID 130253876) has the molecular formula C24H24F3NO and a molecular weight of 399.46 g/mol. Its IUPAC name is (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine.

Molecular Properties

Compound Name(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
PubChem CID130253876
Molecular FormulaC24H24F3NO
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC Name(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine
SMILESNC[C@H](OCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1
InChIInChI=1S/C24H24F3NO/c25-24(26,27)22-14-12-19(13-15-22)7-6-18-8-10-20(11-9-18)17-29-23(16-28)21-4-2-1-3-5-21/h1-5,8-15,23H,6-7,16-17,28H2/t23-/m0/s1
InChIKeyIRGSJOIWAZCNDF-QHCPKHFHSA-N
XLogP5.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.46
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-[[[2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethyl]amino]methyl]benzoate
CID 138489249
(1R,2R)-1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 12060228
2-(2,2,3,3,3-pentafluoropropoxy)-2-phenylethanamine
CID 113248979
2-(3-bromophenyl)-2-[(4-bromophenyl)methoxy]ethanamine
CID 82828633
2-(3-chlorophenyl)-2-[(4-chlorophenyl)methoxy]ethanamine
CID 65124586
(3S)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;hydrochloride
CID 3058750
2-[3,4-bis(phenylmethoxy)phenyl]-2-phenylmethoxyethanamine
CID 10789198
(1R)-1-[[4-(trifluoromethyl)phenyl]methoxy]ethanol
CID 162576270
4-phenyl-4-[[3-(trifluoromethyl)phenyl]methoxy]butan-1-ol
CID 175116158
2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethanamine
CID 105348964
1-(4-phenoxybutyl)-4-(trifluoromethyl)benzene
CID 91038022
3-(2-amino-1-phenylethoxy)propan-1-amine
CID 70040020

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine?
The IUPAC name of (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine (CID 130253876) is (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine.
What is the SMILES notation for (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine?
The canonical SMILES for (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine is NC[C@H](OCc1ccc(CCc2ccc(C(F)(F)F)cc2)cc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine?
The InChIKey is IRGSJOIWAZCNDF-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24F3NO/c25-24(26,27)22-14-12-19(13-15-22)7-6-18-8-10-20(11-9-18)17-29-23(16-28)21-4-2-1-3-5-21/h1-5,8-15,23H,6-7,16-17,28H2/t23-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine?
(2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine has a molecular weight of 399.46 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-[[4-[2-[4-(trifluoromethyl)phenyl]ethyl]phenyl]methoxy]ethanamine is sourced from PubChem (CID 130253876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).