N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine

C21H24N4O2 — CID 11245459

IUPACN-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
SMILESCOc1ccccc1COc1ncnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)16-9-11-17(12-10-16)24-19-22-14-23-20(25-19)27-13-15-7-5-6-8-18(15)26-4/h5-12,14H,13H2,1-4H3,(H,22,23,24,25)
InChIKeyRTOSJMWZOINYJQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.50
Rot. Bonds6

About N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine

N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine (PubChem CID 11245459) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
PubChem CID11245459
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
SMILESCOc1ccccc1COc1ncnc(Nc2ccc(C(C)(C)C)cc2)n1
InChIInChI=1S/C21H24N4O2/c1-21(2,3)16-9-11-17(12-10-16)24-19-22-14-23-20(25-19)27-13-15-7-5-6-8-18(15)26-4/h5-12,14H,13H2,1-4H3,(H,22,23,24,25)
InChIKeyRTOSJMWZOINYJQ-UHFFFAOYSA-N
XLogP4.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine (CID 11245459) is N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine is COc1ccccc1COc1ncnc(Nc2ccc(C(C)(C)C)cc2)n1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine?
The InChIKey is RTOSJMWZOINYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-21(2,3)16-9-11-17(12-10-16)24-19-22-14-23-20(25-19)27-13-15-7-5-6-8-18(15)26-4/h5-12,14H,13H2,1-4H3,(H,22,23,24,25).
What are the key properties of N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine?
N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine has a molecular weight of 364.45 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11245459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).