4-(aminodiazenyl)-2,3-dibenzylaniline

C20H20N4 — CID 174580960

IUPAC4-(aminodiazenyl)-2,3-dibenzylaniline
SMILESN/N=N/c1ccc(N)c(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C20H20N4/c21-19-11-12-20(23-24-22)18(14-16-9-5-2-6-10-16)17(19)13-15-7-3-1-4-8-15/h1-12H,13-14,21H2,(H2,22,23)
InChIKeyRVQYLQUUVBWERM-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.41
Rot. Bonds5

About 4-(aminodiazenyl)-2,3-dibenzylaniline

4-(aminodiazenyl)-2,3-dibenzylaniline (PubChem CID 174580960) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(aminodiazenyl)-2,3-dibenzylaniline.

Molecular Properties

Compound Name4-(aminodiazenyl)-2,3-dibenzylaniline
PubChem CID174580960
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(aminodiazenyl)-2,3-dibenzylaniline
SMILESN/N=N/c1ccc(N)c(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C20H20N4/c21-19-11-12-20(23-24-22)18(14-16-9-5-2-6-10-16)17(19)13-15-7-3-1-4-8-15/h1-12H,13-14,21H2,(H2,22,23)
InChIKeyRVQYLQUUVBWERM-UHFFFAOYSA-N
XLogP4.41
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(aminodiazenyl)aniline
CID 18792571
(3,6-diamino-2-benzylphenyl)-phenylmethanone
CID 154320576
benzylbenzene;ethane;methanamine
CID 54117827
4-benzyldibenzothiophen-3-amine
CID 137417434
phenyl(113C)methylbenzene
CID 11194569
5-benzylfuran-2-amine
CID 68934924
3-amino-2-benzylbenzenecarbothioic S-acid
CID 22403388
5,6-dibenzylpyridine-2,3,4-triamine
CID 19038977
3-benzyl-6-methylbenzene-1,2,4-triamine
CID 88666591
3-(4-amino-2,3-dibenzylphenyl)-2-ethoxypropanoic acid
CID 174490726
2-[(2-amino-5-benzylphenyl)diselanyl]-4-benzylaniline
CID 10052449
3-benzyl-4,5,6-trifluorobenzene-1,2-diamine
CID 152613756

Frequently Asked Questions

What is the IUPAC name of 4-(aminodiazenyl)-2,3-dibenzylaniline?
The IUPAC name of 4-(aminodiazenyl)-2,3-dibenzylaniline (CID 174580960) is 4-(aminodiazenyl)-2,3-dibenzylaniline.
What is the SMILES notation for 4-(aminodiazenyl)-2,3-dibenzylaniline?
The canonical SMILES for 4-(aminodiazenyl)-2,3-dibenzylaniline is N/N=N/c1ccc(N)c(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 4-(aminodiazenyl)-2,3-dibenzylaniline?
The InChIKey is RVQYLQUUVBWERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c21-19-11-12-20(23-24-22)18(14-16-9-5-2-6-10-16)17(19)13-15-7-3-1-4-8-15/h1-12H,13-14,21H2,(H2,22,23).
What are the key properties of 4-(aminodiazenyl)-2,3-dibenzylaniline?
4-(aminodiazenyl)-2,3-dibenzylaniline has a molecular weight of 316.41 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-2,3-dibenzylaniline is sourced from PubChem (CID 174580960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).