4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline

C16H21N3O2Si — CID 159881311

IUPAC4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline
SMILESCO[SiH](OC)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H21N3O2Si/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)22(20-3)21-4/h5-12,22H,1-4H3/b18-17+
InChIKeyNMZKEDBBOAMSLH-ISLYRVAYSA-N
MW315.45 g/mol
LogP2.89
Rot. Bonds6

About 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline

4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline (PubChem CID 159881311) has the molecular formula C16H21N3O2Si and a molecular weight of 315.45 g/mol. Its IUPAC name is 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline
PubChem CID159881311
Molecular FormulaC16H21N3O2Si
Molecular Weight315.45 g/mol
Exact Mass315.14
IUPAC Name4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline
SMILESCO[SiH](OC)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C16H21N3O2Si/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)22(20-3)21-4/h5-12,22H,1-4H3/b18-17+
InChIKeyNMZKEDBBOAMSLH-ISLYRVAYSA-N
XLogP2.89
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-[(4-iodophenyl)diazenyl]-N,N-dimethylaniline
CID 577894
4-[(4-chlorophenyl)diazenyl]-N,N-dimethylaniline
CID 17226
N,N-dimethyl-4-[(4-methylsulfanylphenyl)diazenyl]aniline
CID 145427736
4-[(2-methoxyphenyl)diazenyl]-N,N-dimethylaniline
CID 18161
4-[(3,5-difluorophenyl)diazenyl]-N,N-dimethylaniline
CID 9592
1-N'-(1-aminoethyl)-1-N'-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethane-1,1-diamine
CID 89354990
(NE)-N-[1-[4-[[4-(dimethylamino)phenyl]diazenyl]phenyl]ethylidene]hydroxylamine
CID 135538380
sodium 4-[[4-(dimethylamino)phenyl]diazenyl]benzoate
CID 23674498
4-[[4-(dimethylamino)phenyl]diazenyl]benzenesulfinate
CID 18548168
4-[(2,6-dimethyl-1-oxidopyridin-1-ium-4-yl)diazenyl]-N,N-dimethylaniline
CID 23806
4-[[3-(aminomethyl)phenyl]diazenyl]-N,N-dimethylaniline
CID 88745974
N,N-dimethyl-4-(1H-pyrrol-2-yldiazenyl)aniline
CID 136656446

Frequently Asked Questions

What is the IUPAC name of 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline?
The IUPAC name of 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline (CID 159881311) is 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline is CO[SiH](OC)c1ccc(/N=N/c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline?
The InChIKey is NMZKEDBBOAMSLH-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H21N3O2Si/c1-19(2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)22(20-3)21-4/h5-12,22H,1-4H3/b18-17+.
What are the key properties of 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline?
4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline has a molecular weight of 315.45 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-dimethoxysilylphenyl)diazenyl]-N,N-dimethylaniline is sourced from PubChem (CID 159881311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).