methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine

C28H34N4 — CID 143782226

IUPACmethane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
SMILESC.C.CNc1ccc(Nc2ccc(Nc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H26N4.2CH4/c1-19-3-5-21(6-4-19)28-23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-22-9-7-20(27-2)8-10-22;;/h3-18,27-30H,1-2H3;2*1H4
InChIKeyOKEYFPOLYUBCCG-UHFFFAOYSA-N
MW426.61 g/mol
LogP8.54
Rot. Bonds7

About methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine

methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine (PubChem CID 143782226) has the molecular formula C28H34N4 and a molecular weight of 426.61 g/mol. Its IUPAC name is methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine.

Molecular Properties

Compound Namemethane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
PubChem CID143782226
Molecular FormulaC28H34N4
Molecular Weight426.61 g/mol
Exact Mass426.28
IUPAC Namemethane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine
SMILESC.C.CNc1ccc(Nc2ccc(Nc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1
InChIInChI=1S/C26H26N4.2CH4/c1-19-3-5-21(6-4-19)28-23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-22-9-7-20(27-2)8-10-22;;/h3-18,27-30H,1-2H3;2*1H4
InChIKeyOKEYFPOLYUBCCG-UHFFFAOYSA-N
XLogP8.54
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 58.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

ethane;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 91075726
N,4-dimethylaniline;methane
CID 159702289
N,4-dimethylaniline;ethane
CID 90758225
2,5-dimethyl-1H-pyrrole;2,5-dimethylthiophene;1-N-methyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 158414856
N,4-dimethylaniline;ethene;formaldehyde;molecular hydrogen
CID 143733495
4-N-(4-fluorophenyl)-1-N-methylbenzene-1,4-diamine
CID 101413906
4-methyl-N-(4-methylphenyl)aniline;naphthalene
CID 174486958
4-(methylamino)phenol;1-methyl-4-(4-methylphenyl)benzene
CID 143014115
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]aniline
CID 22013286
4-methyl-N-[4-[4-(4-methylanilino)phenoxy]phenyl]aniline
CID 101414938
4-methyl-N-(4-trimethylsilylphenyl)aniline
CID 66842036
4-N-(4-ethylphenyl)-1-N-methylbenzene-1,4-diamine
CID 117027222

Frequently Asked Questions

What is the IUPAC name of methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine?
The IUPAC name of methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine (CID 143782226) is methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine.
What is the SMILES notation for methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine?
The canonical SMILES for methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine is C.C.CNc1ccc(Nc2ccc(Nc3ccc(Nc4ccc(C)cc4)cc3)cc2)cc1.
What is the InChIKey of methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine?
The InChIKey is OKEYFPOLYUBCCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4.2CH4/c1-19-3-5-21(6-4-19)28-23-11-13-25(14-12-23)30-26-17-15-24(16-18-26)29-22-9-7-20(27-2)8-10-22;;/h3-18,27-30H,1-2H3;2*1H4.
What are the key properties of methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine?
methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine has a molecular weight of 426.61 g/mol, XLogP of 8.54, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1-N-methyl-4-N-[4-[4-(4-methylanilino)anilino]phenyl]benzene-1,4-diamine is sourced from PubChem (CID 143782226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).