4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline

C20H20N4 — CID 149144793

IUPAC4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
SMILESCN(Cc1ccccc1)c1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N4/c1-24(15-16-5-3-2-4-6-16)20-13-11-19(12-14-20)23-22-18-9-7-17(21)8-10-18/h2-14H,15,21H2,1H3/b23-22+
InChIKeyRJQDAVPHYQRMAC-GHVJWSGMSA-N
MW316.41 g/mol
LogP5.32
Rot. Bonds5

About 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline

4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline (PubChem CID 149144793) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline.

Molecular Properties

Compound Name4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
PubChem CID149144793
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline
SMILESCN(Cc1ccccc1)c1ccc(/N=N/c2ccc(N)cc2)cc1
InChIInChI=1S/C20H20N4/c1-24(15-16-5-3-2-4-6-16)20-13-11-19(12-14-20)23-22-18-9-7-17(21)8-10-18/h2-14H,15,21H2,1H3/b23-22+
InChIKeyRJQDAVPHYQRMAC-GHVJWSGMSA-N
XLogP5.32
TPSA53.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.41
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

aniline;N-benzyl-N-methylaniline
CID 163577424
N-benzyl-N-methyl-4-[[4-(pentyldiazenyl)phenyl]diazenyl]aniline
CID 87500130
N-benzyl-4-[(5-bromo-3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-methylaniline bromide
CID 87610265
N-benzyl-4-[(2,6-dichloro-4-methylphenyl)diazenyl]-N-methylaniline
CID 123495257
N-benzyl-4-[(2,3-dimethyl-1H-1,2,4-triazol-2-ium-5-yl)diazenyl]-N-methylaniline
CID 135966530
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-benzyl-N-methyl-4-[(4-methyl-1,2,4-triazol-3-yl)diazenyl]aniline
CID 22090322
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-benzyl-4-[(3,4-dimethyl-1,3-thiazol-3-ium-2-yl)diazenyl]-N-methylaniline
CID 87610236
4-[[4-[(4-phenyldiazenylphenyl)diazenyl]phenyl]diazenyl]aniline
CID 71332869
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
zinc;bis(N-benzyl-N-methyl-4-[(1,2,4-trimethyl-3H-1,2,4-triazol-4-ium-5-yl)diazenyl]aniline);tetrachloride
CID 138401802

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline?
The IUPAC name of 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline (CID 149144793) is 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline.
What is the SMILES notation for 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline?
The canonical SMILES for 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline is CN(Cc1ccccc1)c1ccc(/N=N/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline?
The InChIKey is RJQDAVPHYQRMAC-GHVJWSGMSA-N. The full InChI is InChI=1S/C20H20N4/c1-24(15-16-5-3-2-4-6-16)20-13-11-19(12-14-20)23-22-18-9-7-17(21)8-10-18/h2-14H,15,21H2,1H3/b23-22+.
What are the key properties of 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline?
4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline has a molecular weight of 316.41 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[benzyl(methyl)amino]phenyl]diazenyl]aniline is sourced from PubChem (CID 149144793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).