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

C26H24N2 — CID 144764080

IUPAC5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3ccc(Cc4cc(N)cc(N)c4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2/c1-18-2-6-21(7-3-18)23-10-12-24(13-11-23)22-8-4-19(5-9-22)14-20-15-25(27)17-26(28)16-20/h2-13,15-17H,14,27-28H2,1H3
InChIKeyPRSKZVUZAIJMFG-UHFFFAOYSA-N
MW364.49 g/mol
LogP6.08
Rot. Bonds4

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

5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine (PubChem CID 144764080) has the molecular formula C26H24N2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
PubChem CID144764080
Molecular FormulaC26H24N2
Molecular Weight364.49 g/mol
Exact Mass364.19
IUPAC Name5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3ccc(Cc4cc(N)cc(N)c4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2/c1-18-2-6-21(7-3-18)23-10-12-24(13-11-23)22-8-4-19(5-9-22)14-20-15-25(27)17-26(28)16-20/h2-13,15-17H,14,27-28H2,1H3
InChIKeyPRSKZVUZAIJMFG-UHFFFAOYSA-N
XLogP6.08
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 56.08
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

4-(4-aminophenyl)aniline;4-[(4-aminophenyl)methyl]aniline
CID 22262965
3-[[3-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(3-aminophenyl)methyl]phenyl]methyl]aniline;3-[[4-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[3-[(4-aminophenyl)methyl]phenyl]methyl]aniline;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 159164219
aniline;1-benzyl-4-methylbenzene;1,4-xylene
CID 158888282
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
[4-[4-[[4-(4-methylphenyl)phenyl]methyl]phenyl]phenyl]methanol
CID 121329886
4-ethylaniline;methane;4-[[4-[(4-methylphenyl)methyl]phenyl]methyl]aniline
CID 157414016
1-bromo-4-phenylbenzene;4-methylaniline;1-methyl-4-[(4-phenylphenyl)methyl]benzene
CID 161391373
5-[(4-aminophenyl)methyl]-2-methylbenzene-1,3-diamine
CID 3020827
3,5-dimethylpyridine;1-methyl-4-[(4-methylphenyl)methyl]benzene
CID 91341403
methane;1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 162237370
2,6-bis[(4-methylphenyl)methyl]naphthalene
CID 58774647
1-methyl-3-[4-[[4-(3-methylphenyl)phenyl]methyl]phenyl]benzene
CID 142401875

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine?
The IUPAC name of 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine (CID 144764080) is 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine?
The canonical SMILES for 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine is Cc1ccc(-c2ccc(-c3ccc(Cc4cc(N)cc(N)c4)cc3)cc2)cc1.
What is the InChIKey of 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine?
The InChIKey is PRSKZVUZAIJMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2/c1-18-2-6-21(7-3-18)23-10-12-24(13-11-23)22-8-4-19(5-9-22)14-20-15-25(27)17-26(28)16-20/h2-13,15-17H,14,27-28H2,1H3.
What are the key properties of 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine?
5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine has a molecular weight of 364.49 g/mol, XLogP of 6.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(4-methylphenyl)phenyl]phenyl]methyl]benzene-1,3-diamine is sourced from PubChem (CID 144764080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).