N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine

C15H11ClN4O — CID 70685234

IUPACN-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine
SMILESClc1ccc(Oc2ccc(Nc3ncncn3)cc2)cc1
InChIInChI=1S/C15H11ClN4O/c16-11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)20-15-18-9-17-10-19-15/h1-10H,(H,17,18,19,20)
InChIKeyFEBMNBZUNMSALT-UHFFFAOYSA-N
MW298.73 g/mol
LogP4.06
Rot. Bonds4

About N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine

N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 70685234) has the molecular formula C15H11ClN4O and a molecular weight of 298.73 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID70685234
Molecular FormulaC15H11ClN4O
Molecular Weight298.73 g/mol
Exact Mass298.06
IUPAC NameN-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine
SMILESClc1ccc(Oc2ccc(Nc3ncncn3)cc2)cc1
InChIInChI=1S/C15H11ClN4O/c16-11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)20-15-18-9-17-10-19-15/h1-10H,(H,17,18,19,20)
InChIKeyFEBMNBZUNMSALT-UHFFFAOYSA-N
XLogP4.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine (CID 70685234) is N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine is Clc1ccc(Oc2ccc(Nc3ncncn3)cc2)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is FEBMNBZUNMSALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4O/c16-11-1-5-13(6-2-11)21-14-7-3-12(4-8-14)20-15-18-9-17-10-19-15/h1-10H,(H,17,18,19,20).
What are the key properties of N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine?
N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 298.73 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 70685234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).