N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine

C20H20Cl2N4O — CID 11338621

IUPACN-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc(Cl)nc(OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H20Cl2N4O/c1-20(2,3)14-8-10-15(11-9-14)23-18-24-17(22)25-19(26-18)27-12-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24,25,26)
InChIKeyJRTGGTQTKXMDFQ-UHFFFAOYSA-N
MW403.31 g/mol
LogP5.80
Rot. Bonds5

About N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine

N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine (PubChem CID 11338621) has the molecular formula C20H20Cl2N4O and a molecular weight of 403.31 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
PubChem CID11338621
Molecular FormulaC20H20Cl2N4O
Molecular Weight403.31 g/mol
Exact Mass402.10
IUPAC NameN-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1ccc(Nc2nc(Cl)nc(OCc3ccccc3Cl)n2)cc1
InChIInChI=1S/C20H20Cl2N4O/c1-20(2,3)14-8-10-15(11-9-14)23-18-24-17(22)25-19(26-18)27-12-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24,25,26)
InChIKeyJRTGGTQTKXMDFQ-UHFFFAOYSA-N
XLogP5.80
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.31
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-tert-butylphenyl)-4-N-[(2-chlorophenyl)methyl]-6-methyl-1,3,5-triazine-2,4-diamine
CID 11176492
2-N-(4-tert-butylphenyl)-6-chloro-4-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3,5-triazine-2,4-diamine
CID 11154803
N-(4-tert-butylphenyl)-4-[(2-methoxyphenyl)methoxy]-1,3,5-triazin-2-amine
CID 11245459
4-chloro-6-ethoxy-N-(4-methylphenyl)-1,3,5-triazin-2-amine
CID 62859043
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466
4-N-[[3-[[[4-(4-tert-butylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N-(4-tert-butylphenyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 101120335
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-[[4-chloro-6-[(2-chlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 22281690
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
4-chloro-N-(4-chlorophenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 14362435
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
CID 149100752

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine (CID 11338621) is N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine is CC(C)(C)c1ccc(Nc2nc(Cl)nc(OCc3ccccc3Cl)n2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine?
The InChIKey is JRTGGTQTKXMDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O/c1-20(2,3)14-8-10-15(11-9-14)23-18-24-17(22)25-19(26-18)27-12-13-6-4-5-7-16(13)21/h4-11H,12H2,1-3H3,(H,23,24,25,26).
What are the key properties of N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine?
N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine has a molecular weight of 403.31 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-4-chloro-6-[(2-chlorophenyl)methoxy]-1,3,5-triazin-2-amine is sourced from PubChem (CID 11338621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).