2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene

C28H27F3N2O2 — CID 71081498

IUPAC2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc2c3c1CN(c1cc(C)ccc1OC)C3=CC(C)(C)N2
InChIInChI=1S/C28H27F3N2O2/c1-16-6-10-25(35-5)22(12-16)33-15-20-18(8-9-21-26(20)23(33)14-27(2,3)32-21)19-13-17(28(29,30)31)7-11-24(19)34-4/h6-14,32H,15H2,1-5H3
InChIKeyTWGVXQBHDYJAAC-UHFFFAOYSA-N
MW480.53 g/mol
LogP7.26
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene

2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene (PubChem CID 71081498) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
PubChem CID71081498
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
SMILESCOc1ccc(C(F)(F)F)cc1-c1ccc2c3c1CN(c1cc(C)ccc1OC)C3=CC(C)(C)N2
InChIInChI=1S/C28H27F3N2O2/c1-16-6-10-25(35-5)22(12-16)33-15-20-18(8-9-21-26(20)23(33)14-27(2,3)32-21)19-13-17(28(29,30)31)7-11-24(19)34-4/h6-14,32H,15H2,1-5H3
InChIKeyTWGVXQBHDYJAAC-UHFFFAOYSA-N
XLogP7.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene with MolForge

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Related Compounds

5-(2-methoxy-5-methylphenyl)-10,10-dimethyl-2-phenyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene
CID 71081493
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] cyclopropanesulfinate
CID 121274750
6-[2-methoxy-5-(trifluoromethyl)phenyl]-2,2,4-trimethyl-5-[(2-propan-2-ylphenoxy)methyl]-1H-quinoline
CID 58026926
[4-[2-(5-fluoro-2-methylphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]-3-methoxyphenyl] N-[2-(dimethylamino)ethyl]-N-methylcarbamate
CID 70658524
[3-methoxy-4-[2-(2-methoxyphenyl)-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraen-5-yl]phenyl] 2-nitrobenzoate
CID 70658630
[6-[2-methoxy-5-(trifluoromethyl)phenyl]-2,2,4-trimethyl-1H-quinolin-5-yl]methyl 5-chloro-2,3-dihydrothiophene-2-carboxylate
CID 71080804
5-(chloromethyl)-6-(2-methoxy-5-methylphenyl)-2,2,4-trimethyl-1H-quinoline
CID 58026827
4-(2-methoxy-5-methylphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 162576973
(1R,16R)-9,24-dimethoxy-4,19-bis(trifluoromethyl)octacyclo[21.7.1.18,12.01,16.02,7.017,22.027,31.016,32]dotriaconta-2(7),3,5,8,10,12(32),17(22),18,20,23,25,27(31)-dodecaene
CID 139189669
4-amino-2-(2-methoxy-5-methylphenyl)-3H-isoindol-1-one
CID 82165808
1-(2-methoxy-5-methylphenyl)-2,5-dimethylpyrrole
CID 39243590
N-[[6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-1H-quinolin-5-yl]methyl]-2-methoxy-5-methylaniline
CID 58027196

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene (CID 71081498) is 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene is COc1ccc(C(F)(F)F)cc1-c1ccc2c3c1CN(c1cc(C)ccc1OC)C3=CC(C)(C)N2.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
The InChIKey is TWGVXQBHDYJAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c1-16-6-10-25(35-5)22(12-16)33-15-20-18(8-9-21-26(20)23(33)14-27(2,3)32-21)19-13-17(28(29,30)31)7-11-24(19)34-4/h6-14,32H,15H2,1-5H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene?
2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene has a molecular weight of 480.53 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-5-[2-methoxy-5-(trifluoromethyl)phenyl]-10,10-dimethyl-2,9-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12)-tetraene is sourced from PubChem (CID 71081498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).