5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine

C20H21N3 — CID 163545933

IUPAC5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
SMILESCc1ccc(-c2ccc(-c3cc(N)c(N)c(N)c3)c(C)c2)cc1
InChIInChI=1S/C20H21N3/c1-12-3-5-14(6-4-12)15-7-8-17(13(2)9-15)16-10-18(21)20(23)19(22)11-16/h3-11H,21-23H2,1-2H3
InChIKeyFFAGKUSJXLNDTR-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.38
Rot. Bonds2

About 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine

5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine (PubChem CID 163545933) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine.

Molecular Properties

Compound Name5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
PubChem CID163545933
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine
SMILESCc1ccc(-c2ccc(-c3cc(N)c(N)c(N)c3)c(C)c2)cc1
InChIInChI=1S/C20H21N3/c1-12-3-5-14(6-4-12)15-7-8-17(13(2)9-15)16-10-18(21)20(23)19(22)11-16/h3-11H,21-23H2,1-2H3
InChIKeyFFAGKUSJXLNDTR-UHFFFAOYSA-N
XLogP4.38
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(4-methylphenyl)aniline
CID 23005184
2-methyl-4-(4-methylphenyl)-1-phenylbenzene;yttrium
CID 148599359
4-[4-(4-amino-3-methylphenyl)phenyl]-2-methylaniline
CID 57313034
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
3-methyl-5-phenylbenzene-1,2-diamine
CID 67211058
bis(4-(4-amino-3-methylphenyl)-2-methylaniline);hydrate
CID 67544353
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
5-(4-aminophenyl)-2-methylaniline
CID 68788638
5-[4-(2,4-dimethylphenyl)-2-methylphenyl]-1,3-difluoro-2-methylbenzene
CID 59787642
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
1-(2,4-dimethylphenyl)-3,5-diphenylbenzene
CID 20766179
1,6-dimethylazulene
CID 10855725

Frequently Asked Questions

What is the IUPAC name of 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine?
The IUPAC name of 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine (CID 163545933) is 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine.
What is the SMILES notation for 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine?
The canonical SMILES for 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine is Cc1ccc(-c2ccc(-c3cc(N)c(N)c(N)c3)c(C)c2)cc1.
What is the InChIKey of 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine?
The InChIKey is FFAGKUSJXLNDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-12-3-5-14(6-4-12)15-7-8-17(13(2)9-15)16-10-18(21)20(23)19(22)11-16/h3-11H,21-23H2,1-2H3.
What are the key properties of 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine?
5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine has a molecular weight of 303.41 g/mol, XLogP of 4.38, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-methyl-4-(4-methylphenyl)phenyl]benzene-1,2,3-triamine is sourced from PubChem (CID 163545933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).