4-(2,3,5,6-tetramethylphenyl)aniline

C16H19N — CID 54912488

IUPAC4-(2,3,5,6-tetramethylphenyl)aniline
SMILESCc1cc(C)c(C)c(-c2ccc(N)cc2)c1C
InChIInChI=1S/C16H19N/c1-10-9-11(2)13(4)16(12(10)3)14-5-7-15(17)8-6-14/h5-9H,17H2,1-4H3
InChIKeyAWONGKRLQWGDMN-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.17
Rot. Bonds1

About 4-(2,3,5,6-tetramethylphenyl)aniline

4-(2,3,5,6-tetramethylphenyl)aniline (PubChem CID 54912488) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 4-(2,3,5,6-tetramethylphenyl)aniline.

Molecular Properties

Compound Name4-(2,3,5,6-tetramethylphenyl)aniline
PubChem CID54912488
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name4-(2,3,5,6-tetramethylphenyl)aniline
SMILESCc1cc(C)c(C)c(-c2ccc(N)cc2)c1C
InChIInChI=1S/C16H19N/c1-10-9-11(2)13(4)16(12(10)3)14-5-7-15(17)8-6-14/h5-9H,17H2,1-4H3
InChIKeyAWONGKRLQWGDMN-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,3,5,6-tetramethylphenyl)aniline?
The IUPAC name of 4-(2,3,5,6-tetramethylphenyl)aniline (CID 54912488) is 4-(2,3,5,6-tetramethylphenyl)aniline.
What is the SMILES notation for 4-(2,3,5,6-tetramethylphenyl)aniline?
The canonical SMILES for 4-(2,3,5,6-tetramethylphenyl)aniline is Cc1cc(C)c(C)c(-c2ccc(N)cc2)c1C.
What is the InChIKey of 4-(2,3,5,6-tetramethylphenyl)aniline?
The InChIKey is AWONGKRLQWGDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-10-9-11(2)13(4)16(12(10)3)14-5-7-15(17)8-6-14/h5-9H,17H2,1-4H3.
What are the key properties of 4-(2,3,5,6-tetramethylphenyl)aniline?
4-(2,3,5,6-tetramethylphenyl)aniline has a molecular weight of 225.33 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,5,6-tetramethylphenyl)aniline is sourced from PubChem (CID 54912488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).