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

C16H19N — CID 175481041

IUPAC3-(2,3,4,5-tetramethylphenyl)aniline
SMILESCc1cc(-c2cccc(N)c2)c(C)c(C)c1C
InChIInChI=1S/C16H19N/c1-10-8-16(13(4)12(3)11(10)2)14-6-5-7-15(17)9-14/h5-9H,17H2,1-4H3
InChIKeyOQFCPLHHQQUMSH-UHFFFAOYSA-N
MW225.33 g/mol
LogP4.17
Rot. Bonds1

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

3-(2,3,4,5-tetramethylphenyl)aniline (PubChem CID 175481041) has the molecular formula C16H19N and a molecular weight of 225.33 g/mol. Its IUPAC name is 3-(2,3,4,5-tetramethylphenyl)aniline.

Molecular Properties

Compound Name3-(2,3,4,5-tetramethylphenyl)aniline
PubChem CID175481041
Molecular FormulaC16H19N
Molecular Weight225.33 g/mol
Exact Mass225.15
IUPAC Name3-(2,3,4,5-tetramethylphenyl)aniline
SMILESCc1cc(-c2cccc(N)c2)c(C)c(C)c1C
InChIInChI=1S/C16H19N/c1-10-8-16(13(4)12(3)11(10)2)14-6-5-7-15(17)9-14/h5-9H,17H2,1-4H3
InChIKeyOQFCPLHHQQUMSH-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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Related Compounds

hydrazine;1,2,3,4-tetramethyl-5-phenylbenzene
CID 174461689
6-(3-aminophenyl)-2,3-dimethylaniline
CID 68785658
3-(2,4-difluoro-5-methylphenyl)aniline
CID 79733075
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
3-(2,3,4,5-tetramethylphenyl)benzaldehyde
CID 87595803
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
3-[2-[2-(3-aminophenyl)phenyl]phenyl]aniline
CID 18003218
3-(3-aminophenyl)aniline;sulfane
CID 175159845
cyanic acid;1,2,3,4-tetramethyl-5-phenylbenzene
CID 172702262
3-(2-methylthiophen-3-yl)aniline
CID 102834201
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
CID 146475197

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,4,5-tetramethylphenyl)aniline?
The IUPAC name of 3-(2,3,4,5-tetramethylphenyl)aniline (CID 175481041) is 3-(2,3,4,5-tetramethylphenyl)aniline.
What is the SMILES notation for 3-(2,3,4,5-tetramethylphenyl)aniline?
The canonical SMILES for 3-(2,3,4,5-tetramethylphenyl)aniline is Cc1cc(-c2cccc(N)c2)c(C)c(C)c1C.
What is the InChIKey of 3-(2,3,4,5-tetramethylphenyl)aniline?
The InChIKey is OQFCPLHHQQUMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-10-8-16(13(4)12(3)11(10)2)14-6-5-7-15(17)9-14/h5-9H,17H2,1-4H3.
What are the key properties of 3-(2,3,4,5-tetramethylphenyl)aniline?
3-(2,3,4,5-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 3-(2,3,4,5-tetramethylphenyl)aniline is sourced from PubChem (CID 175481041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).