N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline

C18H23N — CID 163538008

IUPACN,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H23N/c1-12-9-7-8-10-17(12)19(6)18-15(4)13(2)11-14(3)16(18)5/h7-11H,1-6H3
InChIKeyQUSDAWYLPIFJGL-UHFFFAOYSA-N
MW253.39 g/mol
LogP5.00
Rot. Bonds2

About N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline

N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline (PubChem CID 163538008) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline.

Molecular Properties

Compound NameN,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
PubChem CID163538008
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC NameN,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline
SMILESCc1ccccc1N(C)c1c(C)c(C)cc(C)c1C
InChIInChI=1S/C18H23N/c1-12-9-7-8-10-17(12)19(6)18-15(4)13(2)11-14(3)16(18)5/h7-11H,1-6H3
InChIKeyQUSDAWYLPIFJGL-UHFFFAOYSA-N
XLogP5.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline?
The IUPAC name of N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline (CID 163538008) is N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline.
What is the SMILES notation for N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline?
The canonical SMILES for N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline is Cc1ccccc1N(C)c1c(C)c(C)cc(C)c1C.
What is the InChIKey of N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline?
The InChIKey is QUSDAWYLPIFJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-12-9-7-8-10-17(12)19(6)18-15(4)13(2)11-14(3)16(18)5/h7-11H,1-6H3.
What are the key properties of N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline?
N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline has a molecular weight of 253.39 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,3,5,6-pentamethyl-N-(2-methylphenyl)aniline is sourced from PubChem (CID 163538008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).