1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol

C24H24F3NO3 — CID 70160838

IUPAC1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol
SMILESCOC(CN(CC(O)C(F)(F)F)c1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24F3NO3/c1-30-22(18-9-4-2-5-10-18)16-28(17-23(29)24(25,26)27)19-11-8-14-21(15-19)31-20-12-6-3-7-13-20/h2-15,22-23,29H,16-17H2,1H3
InChIKeyZSRKIVPGKZQEFH-UHFFFAOYSA-N
MW431.45 g/mol
LogP5.60
Rot. Bonds9

About 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol

1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol (PubChem CID 70160838) has the molecular formula C24H24F3NO3 and a molecular weight of 431.45 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol
PubChem CID70160838
Molecular FormulaC24H24F3NO3
Molecular Weight431.45 g/mol
Exact Mass431.17
IUPAC Name1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol
SMILESCOC(CN(CC(O)C(F)(F)F)c1cccc(Oc2ccccc2)c1)c1ccccc1
InChIInChI=1S/C24H24F3NO3/c1-30-22(18-9-4-2-5-10-18)16-28(17-23(29)24(25,26)27)19-11-8-14-21(15-19)31-20-12-6-3-7-13-20/h2-15,22-23,29H,16-17H2,1H3
InChIKeyZSRKIVPGKZQEFH-UHFFFAOYSA-N
XLogP5.60
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[N-[(3-benzylphenyl)methyl]-3-phenoxyanilino]-1,1,1-trifluoropropan-2-ol
CID 23506007
ethane;(2R)-1,1,1-trifluoro-3-(3-phenoxy-N-[3-(trifluoromethyl)phenoxy]anilino)propan-2-ol
CID 91375218
1,1,1-trifluoro-3-[N-[[5-(methoxymethyl)-1-methylcyclohexa-2,4-dien-1-yl]methyl]-3-phenoxyanilino]propan-2-ol
CID 162577476
(2R)-1,1,1-trifluoro-3-(N-[3-(1,1,2,2,2-pentafluoroethyl)phenoxy]-3-phenoxyanilino)propan-2-ol
CID 59040118
1,1,1-trifluoro-3-[3-(4-propan-2-ylphenoxy)-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 11092814
1,1,1-trifluoro-3-[3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 24886546
4-[3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]phenoxy]phenol
CID 10918359
3-[3-(3-ethylphenoxy)-N-[[3-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10210412
(2R)-3-[3-(3-tert-butylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 54370963
(2R)-3-[3-(3,5-dimethylphenoxy)-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10458682
1-chloro-1,1-difluoro-3-[3-phenoxy-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]propan-2-ol
CID 20614086
1,1,1-trifluoro-3-[N-[[3-(furan-2-yl)-4-morpholin-4-ylphenyl]methyl]-3-phenoxyanilino]propan-2-ol
CID 23506091

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol (CID 70160838) is 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol is COC(CN(CC(O)C(F)(F)F)c1cccc(Oc2ccccc2)c1)c1ccccc1.
What is the InChIKey of 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol?
The InChIKey is ZSRKIVPGKZQEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3NO3/c1-30-22(18-9-4-2-5-10-18)16-28(17-23(29)24(25,26)27)19-11-8-14-21(15-19)31-20-12-6-3-7-13-20/h2-15,22-23,29H,16-17H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol?
1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol has a molecular weight of 431.45 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(N-(2-methoxy-2-phenylethyl)-3-phenoxyanilino)propan-2-ol is sourced from PubChem (CID 70160838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).