N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline

C20H22N4 — CID 130353292

IUPACN,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline
SMILESCc1c(C)c(N(C)c2ccccc2)c(C)c(C)c1-c1ncncn1
InChIInChI=1S/C20H22N4/c1-13-15(3)19(24(5)17-9-7-6-8-10-17)16(4)14(2)18(13)20-22-11-21-12-23-20/h6-12H,1-5H3
InChIKeyHNDIFAMWMFHGLL-UHFFFAOYSA-N
MW318.42 g/mol
LogP4.54
Rot. Bonds3

About N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline

N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline (PubChem CID 130353292) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound NameN,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline
PubChem CID130353292
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC NameN,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline
SMILESCc1c(C)c(N(C)c2ccccc2)c(C)c(C)c1-c1ncncn1
InChIInChI=1S/C20H22N4/c1-13-15(3)19(24(5)17-9-7-6-8-10-17)16(4)14(2)18(13)20-22-11-21-12-23-20/h6-12H,1-5H3
InChIKeyHNDIFAMWMFHGLL-UHFFFAOYSA-N
XLogP4.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline?
The IUPAC name of N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline (CID 130353292) is N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline?
The canonical SMILES for N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline is Cc1c(C)c(N(C)c2ccccc2)c(C)c(C)c1-c1ncncn1.
What is the InChIKey of N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline?
The InChIKey is HNDIFAMWMFHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-13-15(3)19(24(5)17-9-7-6-8-10-17)16(4)14(2)18(13)20-22-11-21-12-23-20/h6-12H,1-5H3.
What are the key properties of N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline?
N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline has a molecular weight of 318.42 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5,6-pentamethyl-N-phenyl-4-(1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 130353292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).