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

C22H24F2N4O3 — CID 118986973

IUPAC2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(C(C)(C)O)c2)n1
InChIInChI=1S/C22H24F2N4O3/c1-22(2,29)16-6-4-5-15(13-16)18-26-20(28-21(27-18)30-3)25-12-11-14-7-9-17(10-8-14)31-19(23)24/h4-10,13,19,29H,11-12H2,1-3H3,(H,25,26,27,28)
InChIKeyFTYIVBVOAOEGSI-UHFFFAOYSA-N
MW430.46 g/mol
LogP4.03
Rot. Bonds9

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

2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (PubChem CID 118986973) has the molecular formula C22H24F2N4O3 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
PubChem CID118986973
Molecular FormulaC22H24F2N4O3
Molecular Weight430.46 g/mol
Exact Mass430.18
IUPAC Name2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(C(C)(C)O)c2)n1
InChIInChI=1S/C22H24F2N4O3/c1-22(2,29)16-6-4-5-15(13-16)18-26-20(28-21(27-18)30-3)25-12-11-14-7-9-17(10-8-14)31-19(23)24/h4-10,13,19,29H,11-12H2,1-3H3,(H,25,26,27,28)
InChIKeyFTYIVBVOAOEGSI-UHFFFAOYSA-N
XLogP4.03
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)methanol
CID 139030523
2-[5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599531
2-{4-Amino-6-[2-(4-methoxyphenyl)vinyl]-1,3,5-triazin-2-yl}phenol
CID 135425072
N-[2-(4-fluorophenyl)ethyl]-4-methoxy-6-(3-methoxyphenyl)-1,3,5-triazin-2-amine
CID 71599188
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
2-[4-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxyphenyl]propan-2-ol
CID 71599354
2-[2-Chloro-5-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599355
2-[2-Chloro-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599356
2-[2-Methoxy-5-[4-methoxy-6-[2-[4-(trifluoromethoxy)phenyl]ethylamino]-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599447
2-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol
CID 71599448
3-[3-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]pentan-3-ol
CID 71599623
5-[4-[2-(4-Fluorophenyl)ethylamino]-6-methoxy-1,3,5-triazin-2-yl]-2-methoxybenzonitrile
CID 71599625

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol (CID 118986973) is 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is COc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2cccc(C(C)(C)O)c2)n1.
What is the InChIKey of 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
The InChIKey is FTYIVBVOAOEGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O3/c1-22(2,29)16-6-4-5-15(13-16)18-26-20(28-21(27-18)30-3)25-12-11-14-7-9-17(10-8-14)31-19(23)24/h4-10,13,19,29H,11-12H2,1-3H3,(H,25,26,27,28).
What are the key properties of 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol?
2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol has a molecular weight of 430.46 g/mol, XLogP of 4.03, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-[4-(difluoromethoxy)phenyl]ethylamino]-6-methoxy-1,3,5-triazin-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 118986973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).