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

C25H22N2O — CID 123361799

IUPAC5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3ccc(Oc4cc(N)cc(N)c4)cc3)cc2)cc1
InChIInChI=1S/C25H22N2O/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-24(13-11-21)28-25-15-22(26)14-23(27)16-25/h2-16H,26-27H2,1H3
InChIKeyWUOBJPFZDJKOKQ-UHFFFAOYSA-N
MW366.46 g/mol
LogP6.29
Rot. Bonds4

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

5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine (PubChem CID 123361799) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine
PubChem CID123361799
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine
SMILESCc1ccc(-c2ccc(-c3ccc(Oc4cc(N)cc(N)c4)cc3)cc2)cc1
InChIInChI=1S/C25H22N2O/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-24(13-11-21)28-25-15-22(26)14-23(27)16-25/h2-16H,26-27H2,1H3
InChIKeyWUOBJPFZDJKOKQ-UHFFFAOYSA-N
XLogP6.29
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 56.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[3-amino-5-(4-methylphenoxy)phenoxy]benzonitrile
CID 90871272
4-[3-(4-aminophenoxy)-5-methylphenoxy]aniline
CID 59187914
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
5-[4-[4-(4-methylcyclohexyl)phenyl]phenoxy]benzene-1,3-diamine
CID 58479203
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1,3-dimethoxy-5-(4-methylphenoxy)benzene
CID 71396747
5-[4-(4-methylphenyl)phenoxy]pyridin-2-amine
CID 145045214
CID 147258835
CID 147258835
4-methyl-N-[4-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenoxy]phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 54118518
3-[3-(3-amino-5-methylphenoxy)phenoxy]-5-methylaniline
CID 19762800

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine?
The IUPAC name of 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine (CID 123361799) is 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine.
What is the SMILES notation for 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine?
The canonical SMILES for 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine is Cc1ccc(-c2ccc(-c3ccc(Oc4cc(N)cc(N)c4)cc3)cc2)cc1.
What is the InChIKey of 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine?
The InChIKey is WUOBJPFZDJKOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17-2-4-18(5-3-17)19-6-8-20(9-7-19)21-10-12-24(13-11-21)28-25-15-22(26)14-23(27)16-25/h2-16H,26-27H2,1H3.
What are the key properties of 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine?
5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine has a molecular weight of 366.46 g/mol, XLogP of 6.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-methylphenyl)phenyl]phenoxy]benzene-1,3-diamine is sourced from PubChem (CID 123361799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).