3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline

C28H28N2 — CID 167228180

IUPAC3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline
SMILESCc1ccc(-c2cc(N)cc(-c3ccc(C)c(-c4cccc(N)c4)c3C)c2)c(C)c1
InChIInChI=1S/C28H28N2/c1-17-8-10-26(19(3)12-17)22-13-23(16-25(30)15-22)27-11-9-18(2)28(20(27)4)21-6-5-7-24(29)14-21/h5-16H,29-30H2,1-4H3
InChIKeyFDSCPTKAODAMGB-UHFFFAOYSA-N
MW392.55 g/mol
LogP7.09
Rot. Bonds3

About 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline

3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline (PubChem CID 167228180) has the molecular formula C28H28N2 and a molecular weight of 392.55 g/mol. Its IUPAC name is 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline.

Molecular Properties

Compound Name3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline
PubChem CID167228180
Molecular FormulaC28H28N2
Molecular Weight392.55 g/mol
Exact Mass392.23
IUPAC Name3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline
SMILESCc1ccc(-c2cc(N)cc(-c3ccc(C)c(-c4cccc(N)c4)c3C)c2)c(C)c1
InChIInChI=1S/C28H28N2/c1-17-8-10-26(19(3)12-17)22-13-23(16-25(30)15-22)27-11-9-18(2)28(20(27)4)21-6-5-7-24(29)14-21/h5-16H,29-30H2,1-4H3
InChIKeyFDSCPTKAODAMGB-UHFFFAOYSA-N
XLogP7.09
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.55
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
3-[2-(3,5-dimethylphenyl)-5-methylphenyl]aniline
CID 146475197
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
6-(3-aminophenyl)-2,3-dimethylaniline
CID 68785658
3-[3-(3-aminophenyl)-2,4-dimethylcyclohexa-2,4-dien-1-yl]-5-(2,4-dimethylphenyl)aniline
CID 166797311
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
1-[4-(2,3-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 144502475
3-(2,4-dimethylphenyl)-4-methylaniline
CID 63334523
2-[3-(2,4-dimethylphenyl)phenyl]ethanamine
CID 82115094
3-methylaniline chloride
CID 23334103
3-(2,3,4,5-tetramethylphenyl)aniline
CID 175481041
3-(2,4-dimethylphenyl)phenol
CID 53218508

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline?
The IUPAC name of 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline (CID 167228180) is 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline.
What is the SMILES notation for 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline?
The canonical SMILES for 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline is Cc1ccc(-c2cc(N)cc(-c3ccc(C)c(-c4cccc(N)c4)c3C)c2)c(C)c1.
What is the InChIKey of 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline?
The InChIKey is FDSCPTKAODAMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2/c1-17-8-10-26(19(3)12-17)22-13-23(16-25(30)15-22)27-11-9-18(2)28(20(27)4)21-6-5-7-24(29)14-21/h5-16H,29-30H2,1-4H3.
What are the key properties of 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline?
3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline has a molecular weight of 392.55 g/mol, XLogP of 7.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminophenyl)-2,4-dimethylphenyl]-5-(2,4-dimethylphenyl)aniline is sourced from PubChem (CID 167228180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).