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

C19H18ClFN4O2 — CID 118876254

IUPAC4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClFN4O2/c1-26-19-24-17(14-4-6-15(20)7-5-14)23-18(25-19)22-11-10-13-2-8-16(9-3-13)27-12-21/h2-9H,10-12H2,1H3,(H,22,23,24,25)
InChIKeyFPWKCWHSYBMUKF-UHFFFAOYSA-N
MW388.83 g/mol
LogP4.16
Rot. Bonds8

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

4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 118876254) has the molecular formula C19H18ClFN4O2 and a molecular weight of 388.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
PubChem CID118876254
Molecular FormulaC19H18ClFN4O2
Molecular Weight388.83 g/mol
Exact Mass388.11
IUPAC Name4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C19H18ClFN4O2/c1-26-19-24-17(14-4-6-15(20)7-5-14)23-18(25-19)22-11-10-13-2-8-16(9-3-13)27-12-21/h2-9H,10-12H2,1H3,(H,22,23,24,25)
InChIKeyFPWKCWHSYBMUKF-UHFFFAOYSA-N
XLogP4.16
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.83
LogP ≤ 54.16
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-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine (CID 118876254) is 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine is COc1nc(NCCc2ccc(OCF)cc2)nc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is FPWKCWHSYBMUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4O2/c1-26-19-24-17(14-4-6-15(20)7-5-14)23-18(25-19)22-11-10-13-2-8-16(9-3-13)27-12-21/h2-9H,10-12H2,1H3,(H,22,23,24,25).
What are the key properties of 4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine?
4-(4-chlorophenyl)-N-[2-[4-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 388.83 g/mol, XLogP of 4.16, 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-(fluoromethoxy)phenyl]ethyl]-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 118876254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).