4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine

C20H18N2O2-2 — CID 163779490

IUPAC4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
SMILESCc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2
InChIKeyRLIPGLQQFAATLX-UHFFFAOYSA-N
MW318.38 g/mol
LogP5.58
Rot. Bonds4

About 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine

4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine (PubChem CID 163779490) has the molecular formula C20H18N2O2-2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
PubChem CID163779490
Molecular FormulaC20H18N2O2-2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine
SMILESCc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2
InChIKeyRLIPGLQQFAATLX-UHFFFAOYSA-N
XLogP5.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.38
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-1-N,4-N,4-N-tris(3-methylphenyl)benzene-1,4-diamine
CID 20734413
3-methyl-N-[4-(4-methylphenyl)phenyl]-N-phenylaniline
CID 21349180
CID 145278615
CID 145278615
methane;3-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]-N-phenylaniline
CID 158674972
4-methyl-N,N-diphenylaniline;3-methyl-N-(3-methylphenyl)-N-(4-methylphenyl)aniline;N-methyl-N-phenylaniline;4-N-(4-methylphenyl)-1-N,1-N-diphenyl-4-N-[4-(N-phenylanilino)phenyl]benzene-1,4-diamine
CID 160844016
3-methyl-N-[4-[4-[N-(3-methylphenyl)-4-[4-[N-(3-methylphenyl)-4-[4-(N-(3-methylphenyl)anilino)phenyl]anilino]phenyl]anilino]phenyl]phenyl]-N-phenylaniline
CID 100923468
3-methyl-N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]-N-[4-[4-(N-[4-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 58711214
ethane;1,3-xylene;1,4-xylene
CID 145425556
methane;1,3-xylene;1,4-xylene
CID 161051420
CID 138691650
CID 138691650
N-(4-ethenylphenyl)-3-methyl-N-(4-methylphenyl)aniline
CID 69459469
CID 70331685
CID 70331685

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The IUPAC name of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine (CID 163779490) is 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The canonical SMILES for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine is Cc1ccc(N([O-])c2ccc(N([O-])c3cccc(C)c3)cc2)cc1.
What is the InChIKey of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
The InChIKey is RLIPGLQQFAATLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-15-6-8-17(9-7-15)21(23)18-10-12-19(13-11-18)22(24)20-5-3-4-16(2)14-20/h3-14H,1-2H3/q-2.
What are the key properties of 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine?
4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine has a molecular weight of 318.38 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-methylphenyl)-1-N-(4-methylphenyl)-1-N,4-N-dioxidobenzene-1,4-diamine is sourced from PubChem (CID 163779490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).