2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol

C23H26F2N4O4 — CID 118986975

IUPAC2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(OC)c2C(C)(C)O)n1
InChIInChI=1S/C23H26F2N4O4/c1-23(2,30)18-16(6-5-7-17(18)31-3)19-27-21(29-22(28-19)32-4)26-13-12-14-8-10-15(11-9-14)33-20(24)25/h5-11,20,30H,12-13H2,1-4H3,(H,26,27,28,29)
InChIKeyXJOQISHBIHHUFN-UHFFFAOYSA-N
MW460.48 g/mol
LogP4.04
Rot. Bonds10

About 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol

2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol (PubChem CID 118986975) has the molecular formula C23H26F2N4O4 and a molecular weight of 460.48 g/mol. Its IUPAC name is 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
PubChem CID118986975
Molecular FormulaC23H26F2N4O4
Molecular Weight460.48 g/mol
Exact Mass460.19
IUPAC Name2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(OC)c2C(C)(C)O)n1
InChIInChI=1S/C23H26F2N4O4/c1-23(2,30)18-16(6-5-7-17(18)31-3)19-27-21(29-22(28-19)32-4)26-13-12-14-8-10-15(11-9-14)33-20(24)25/h5-11,20,30H,12-13H2,1-4H3,(H,26,27,28,29)
InChIKeyXJOQISHBIHHUFN-UHFFFAOYSA-N
XLogP4.04
TPSA98.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.48
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol with MolForge

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Related Compounds

4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-6-phenyl-1,3,5-triazin-2-amine
CID 117093130
N-ethyl-4-(2-fluoro-3-methoxyphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82812218
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-quinolin-4-yl-1,3,5-triazin-2-amine
CID 118986964
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(8-methylquinolin-5-yl)-1,3,5-triazin-2-amine
CID 118986968
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-2-methylpropan-2-amine
CID 64866431
4-[2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]amino]ethyl]phenol
CID 80776333
methyl 4-[4-(difluoromethoxy)phenyl]-2-hydroxy-2-methylbutanoate
CID 55048145
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243
N-ethyl-4-methoxy-6-(2-propoxyphenyl)-1,3,5-triazin-2-amine
CID 104663162
2-[2-[4-(difluoromethoxy)phenyl]ethyliminomethyl]-6-methoxyphenol
CID 135818049
6-methoxy-4-N-[2-(4-methoxyphenyl)ethyl]-2-N-pyridin-3-yl-1,3,5-triazine-2,4-diamine
CID 117093191

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol?
The IUPAC name of 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol (CID 118986975) is 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol?
The canonical SMILES for 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol is COc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(OC)c2C(C)(C)O)n1.
What is the InChIKey of 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol?
The InChIKey is XJOQISHBIHHUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O4/c1-23(2,30)18-16(6-5-7-17(18)31-3)19-27-21(29-22(28-19)32-4)26-13-12-14-8-10-15(11-9-14)33-20(24)25/h5-11,20,30H,12-13H2,1-4H3,(H,26,27,28,29).
What are the key properties of 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol?
2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol has a molecular weight of 460.48 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-6-methoxyphenyl]propan-2-ol is sourced from PubChem (CID 118986975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).