(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole

C20H20F3NO2 — CID 138984903

IUPAC(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole
SMILESCOc1ccc([C@]2(C(C)C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C20H20F3NO2/c1-12(2)19(13-5-7-14(25-3)8-6-13)17-10-9-15(26-4)11-16(17)18(24-19)20(21,22)23/h5-12H,1-4H3/t19-/m0/s1
InChIKeyIJBJATXNOQKHHR-IBGZPJMESA-N
MW363.38 g/mol
LogP4.97
Rot. Bonds4

About (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole

(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole (PubChem CID 138984903) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole
PubChem CID138984903
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole
SMILESCOc1ccc([C@]2(C(C)C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C20H20F3NO2/c1-12(2)19(13-5-7-14(25-3)8-6-13)17-10-9-15(26-4)11-16(17)18(24-19)20(21,22)23/h5-12H,1-4H3/t19-/m0/s1
InChIKeyIJBJATXNOQKHHR-IBGZPJMESA-N
XLogP4.97
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 22332367
CID 22332367
CID 2853780
CID 2853780
CID 201293
CID 201293
CID 2972268
CID 2972268
CID 624494
CID 624494
CID 720207
CID 720207
CID 743721
CID 743721
CID 90672427
CID 90672427
CID 700221
CID 700221
CID 3441947
CID 3441947
CID 748267
CID 748267
CID 135015517
CID 135015517

Frequently Asked Questions

What is the IUPAC name of (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The IUPAC name of (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole (CID 138984903) is (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole is COc1ccc([C@]2(C(C)C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1.
What is the InChIKey of (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole?
The InChIKey is IJBJATXNOQKHHR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-12(2)19(13-5-7-14(25-3)8-6-13)17-10-9-15(26-4)11-16(17)18(24-19)20(21,22)23/h5-12H,1-4H3/t19-/m0/s1.
What are the key properties of (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole?
(1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole has a molecular weight of 363.38 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-5-methoxy-1-(4-methoxyphenyl)-1-propan-2-yl-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).