4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine

C19H17ClF2N4O2 — CID 118876255

IUPAC4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClF2N4O2/c1-27-19-25-16(13-4-6-14(20)7-5-13)24-18(26-19)23-11-10-12-2-8-15(9-3-12)28-17(21)22/h2-9,17H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyFRMFMVCVICJCRZ-UHFFFAOYSA-N
MW406.82 g/mol
LogP4.46
Rot. Bonds8

About 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine

4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 118876255) has the molecular formula C19H17ClF2N4O2 and a molecular weight of 406.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID118876255
Molecular FormulaC19H17ClF2N4O2
Molecular Weight406.82 g/mol
Exact Mass406.10
IUPAC Name4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H17ClF2N4O2/c1-27-19-25-16(13-4-6-14(20)7-5-13)24-18(26-19)23-11-10-12-2-8-15(9-3-12)28-17(21)22/h2-9,17H,10-11H2,1H3,(H,23,24,25,26)
InChIKeyFRMFMVCVICJCRZ-UHFFFAOYSA-N
XLogP4.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.82
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 118876255) is 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(OC(F)F)cc2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FRMFMVCVICJCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF2N4O2/c1-27-19-25-16(13-4-6-14(20)7-5-13)24-18(26-19)23-11-10-12-2-8-15(9-3-12)28-17(21)22/h2-9,17H,10-11H2,1H3,(H,23,24,25,26).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 406.82 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 118876255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).