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

C19H16ClF3N4O2 — CID 118876258

IUPAC4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClF3N4O2/c1-28-18-26-16(13-4-6-14(20)7-5-13)25-17(27-18)24-11-10-12-2-8-15(9-3-12)29-19(21,22)23/h2-9H,10-11H2,1H3,(H,24,25,26,27)
InChIKeySLAJMFQXBKBCRJ-UHFFFAOYSA-N
MW424.81 g/mol
LogP4.75
Rot. Bonds7

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

4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine (PubChem CID 118876258) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine
PubChem CID118876258
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H16ClF3N4O2/c1-28-18-26-16(13-4-6-14(20)7-5-13)25-17(27-18)24-11-10-12-2-8-15(9-3-12)29-19(21,22)23/h2-9H,10-11H2,1H3,(H,24,25,26,27)
InChIKeySLAJMFQXBKBCRJ-UHFFFAOYSA-N
XLogP4.75
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine (CID 118876258) is 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(OC(F)(F)F)cc2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine?
The InChIKey is SLAJMFQXBKBCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c1-28-18-26-16(13-4-6-14(20)7-5-13)25-17(27-18)24-11-10-12-2-8-15(9-3-12)29-19(21,22)23/h2-9H,10-11H2,1H3,(H,24,25,26,27).
What are the key properties of 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine has a molecular weight of 424.81 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 118876258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).