4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane

C22H26N2O2 — CID 145450258

IUPAC4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
SMILESCC.COc1ccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O2.C2H6/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18;1-2/h3-14H,21H2,1-2H3;1-2H3
InChIKeyKVNCKUYVSKOOOS-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.78
Rot. Bonds5

About 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane

4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane (PubChem CID 145450258) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane.

Molecular Properties

Compound Name4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
PubChem CID145450258
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane
SMILESCC.COc1ccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H20N2O2.C2H6/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18;1-2/h3-14H,21H2,1-2H3;1-2H3
InChIKeyKVNCKUYVSKOOOS-UHFFFAOYSA-N
XLogP5.78
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane?
The IUPAC name of 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane (CID 145450258) is 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane.
What is the SMILES notation for 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane?
The canonical SMILES for 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane is CC.COc1ccc(N(c2ccc(N)cc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane?
The InChIKey is KVNCKUYVSKOOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2.C2H6/c1-23-19-11-7-17(8-12-19)22(16-5-3-15(21)4-6-16)18-9-13-20(24-2)14-10-18;1-2/h3-14H,21H2,1-2H3;1-2H3.
What are the key properties of 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane?
4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane has a molecular weight of 350.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-bis(4-methoxyphenyl)benzene-1,4-diamine;ethane is sourced from PubChem (CID 145450258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).