3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline

C21H21N — CID 146475197

IUPAC3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
SMILESCc1cc(C)cc(-c2ccc(C)cc2-c2cccc(N)c2)c1
InChIInChI=1S/C21H21N/c1-14-7-8-20(18-10-15(2)9-16(3)11-18)21(12-14)17-5-4-6-19(22)13-17/h4-13H,22H2,1-3H3
InChIKeyDKJMQGRTJZXSJD-UHFFFAOYSA-N
MW287.41 g/mol
LogP5.53
Rot. Bonds2

About 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline

3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline (PubChem CID 146475197) has the molecular formula C21H21N and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
PubChem CID146475197
Molecular FormulaC21H21N
Molecular Weight287.41 g/mol
Exact Mass287.17
IUPAC Name3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
SMILESCc1cc(C)cc(-c2ccc(C)cc2-c2cccc(N)c2)c1
InChIInChI=1S/C21H21N/c1-14-7-8-20(18-10-15(2)9-16(3)11-18)21(12-14)17-5-4-6-19(22)13-17/h4-13H,22H2,1-3H3
InChIKeyDKJMQGRTJZXSJD-UHFFFAOYSA-N
XLogP5.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.41
LogP ≤ 55.53
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 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline?
The IUPAC name of 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline (CID 146475197) is 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline.
What is the SMILES notation for 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline?
The canonical SMILES for 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline is Cc1cc(C)cc(-c2ccc(C)cc2-c2cccc(N)c2)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline?
The InChIKey is DKJMQGRTJZXSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N/c1-14-7-8-20(18-10-15(2)9-16(3)11-18)21(12-14)17-5-4-6-19(22)13-17/h4-13H,22H2,1-3H3.
What are the key properties of 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline?
3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline has a molecular weight of 287.41 g/mol, XLogP of 5.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline is sourced from PubChem (CID 146475197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).