4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline

C26H24N2O — CID 101414938

IUPAC4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
SMILESCc1ccc(Nc2ccc(Oc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22/h3-18,27-28H,1-2H3
InChIKeyWRHRVLAFRVVEDH-UHFFFAOYSA-N
MW380.49 g/mol
LogP7.58
Rot. Bonds6

About 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline

4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline (PubChem CID 101414938) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline.

Molecular Properties

Compound Name4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
PubChem CID101414938
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
SMILESCc1ccc(Nc2ccc(Oc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H24N2O/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22/h3-18,27-28H,1-2H3
InChIKeyWRHRVLAFRVVEDH-UHFFFAOYSA-N
XLogP7.58
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
4-(4-methylphenoxy)-N-propan-2-ylaniline
CID 21043850
ethane;N-methyl-4-(4-methylphenoxy)aniline;toluene
CID 144508046
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
CID 143782226
ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
[4-(4-methylphenoxy)phenyl]azanium
CID 142074955
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
3-[4-[4-[2,3-bis(4-methylanilino)phenoxy]phenyl]phenoxy]-1-N,2-N-bis(4-methylphenyl)benzene-1,2-diamine
CID 18996828
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-4-[4-[[4-[4-[[4-[4-[[4-(4-methylphenoxy)phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]phenyl]methyl]phenoxy]benzene
CID 130432775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline?
The IUPAC name of 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline (CID 101414938) is 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline.
What is the SMILES notation for 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline?
The canonical SMILES for 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline is Cc1ccc(Nc2ccc(Oc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline?
The InChIKey is WRHRVLAFRVVEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22/h3-18,27-28H,1-2H3.
What are the key properties of 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline?
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline has a molecular weight of 380.49 g/mol, XLogP of 7.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline is sourced from PubChem (CID 101414938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).