4-(2,3,6-trimethylphenyl)aniline

C15H17N — CID 170384539

IUPAC4-(2,3,6-trimethylphenyl)aniline
SMILESCc1ccc(C)c(-c2ccc(N)cc2)c1C
InChIInChI=1S/C15H17N/c1-10-4-5-11(2)15(12(10)3)13-6-8-14(16)9-7-13/h4-9H,16H2,1-3H3
InChIKeySXQZLOIYNIYCJV-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.86
Rot. Bonds1

About 4-(2,3,6-trimethylphenyl)aniline

4-(2,3,6-trimethylphenyl)aniline (PubChem CID 170384539) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-(2,3,6-trimethylphenyl)aniline.

Molecular Properties

Compound Name4-(2,3,6-trimethylphenyl)aniline
PubChem CID170384539
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name4-(2,3,6-trimethylphenyl)aniline
SMILESCc1ccc(C)c(-c2ccc(N)cc2)c1C
InChIInChI=1S/C15H17N/c1-10-4-5-11(2)15(12(10)3)13-6-8-14(16)9-7-13/h4-9H,16H2,1-3H3
InChIKeySXQZLOIYNIYCJV-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(2,3,5,6-tetramethylphenyl)aniline
CID 54912488
1,2,4-trimethyl-3-(2,3,6-trimethylphenyl)benzene
CID 22967951
4-(4-aminophenyl)-2,3,5,6-tetramethylaniline;hydrate
CID 175596524
2-(4-aminophenyl)-3-methylbenzenethiol
CID 174495276
5-(4-aminophenyl)-2-methylaniline
CID 68788638
4-(4-aminophenyl)-3-chloro-5-methylaniline
CID 150398690
ethane;4-(4-methylphenyl)aniline
CID 142892908
4-(4-aminophenyl)aniline;chloromethane
CID 174340925
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
1,2,4,5-tetramethyl-3-(2,3,6-trimethylphenyl)benzene
CID 173377098
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,6-trimethylphenyl)aniline?
The IUPAC name of 4-(2,3,6-trimethylphenyl)aniline (CID 170384539) is 4-(2,3,6-trimethylphenyl)aniline.
What is the SMILES notation for 4-(2,3,6-trimethylphenyl)aniline?
The canonical SMILES for 4-(2,3,6-trimethylphenyl)aniline is Cc1ccc(C)c(-c2ccc(N)cc2)c1C.
What is the InChIKey of 4-(2,3,6-trimethylphenyl)aniline?
The InChIKey is SXQZLOIYNIYCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-10-4-5-11(2)15(12(10)3)13-6-8-14(16)9-7-13/h4-9H,16H2,1-3H3.
What are the key properties of 4-(2,3,6-trimethylphenyl)aniline?
4-(2,3,6-trimethylphenyl)aniline has a molecular weight of 211.31 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,6-trimethylphenyl)aniline is sourced from PubChem (CID 170384539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).