4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine

C22H19N5O2 — CID 117093731

IUPAC4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C22H19N5O2/c1-28-22-26-20(15-6-5-7-16(23)14-15)25-21(27-22)24-17-10-12-19(13-11-17)29-18-8-3-2-4-9-18/h2-14H,23H2,1H3,(H,24,25,26,27)
InChIKeyNROSSMKXMBZLBD-UHFFFAOYSA-N
MW385.43 g/mol
LogP4.67
Rot. Bonds6

About 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine

4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 117093731) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID117093731
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(-c2cccc(N)c2)n1
InChIInChI=1S/C22H19N5O2/c1-28-22-26-20(15-6-5-7-16(23)14-15)25-21(27-22)24-17-10-12-19(13-11-17)29-18-8-3-2-4-9-18/h2-14H,23H2,1H3,(H,24,25,26,27)
InChIKeyNROSSMKXMBZLBD-UHFFFAOYSA-N
XLogP4.67
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine (CID 117093731) is 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is COc1nc(Nc2ccc(Oc3ccccc3)cc2)nc(-c2cccc(N)c2)n1.
What is the InChIKey of 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is NROSSMKXMBZLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-28-22-26-20(15-6-5-7-16(23)14-15)25-21(27-22)24-17-10-12-19(13-11-17)29-18-8-3-2-4-9-18/h2-14H,23H2,1H3,(H,24,25,26,27).
What are the key properties of 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine?
4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 385.43 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-6-methoxy-N-(4-phenoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 117093731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).