4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine

C20H21N3 — CID 132519467

IUPAC4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1
InChIInChI=1S/C20H21N3/c1-14-11-15(2)13-20(12-14)23(18-7-3-16(21)4-8-18)19-9-5-17(22)6-10-19/h3-13H,21-22H2,1-2H3
InChIKeyIZCKMEVOMMQQFV-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.94
Rot. Bonds3

About 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine

4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine (PubChem CID 132519467) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
PubChem CID132519467
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine
SMILESCc1cc(C)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1
InChIInChI=1S/C20H21N3/c1-14-11-15(2)13-20(12-14)23(18-7-3-16(21)4-8-18)19-9-5-17(22)6-10-19/h3-13H,21-22H2,1-2H3
InChIKeyIZCKMEVOMMQQFV-UHFFFAOYSA-N
XLogP4.94
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine (CID 132519467) is 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine is Cc1cc(C)cc(N(c2ccc(N)cc2)c2ccc(N)cc2)c1.
What is the InChIKey of 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine?
The InChIKey is IZCKMEVOMMQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3/c1-14-11-15(2)13-20(12-14)23(18-7-3-16(21)4-8-18)19-9-5-17(22)6-10-19/h3-13H,21-22H2,1-2H3.
What are the key properties of 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine?
4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine has a molecular weight of 303.41 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-aminophenyl)-4-N-(3,5-dimethylphenyl)benzene-1,4-diamine is sourced from PubChem (CID 132519467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).