N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline

C14H14N4O2 — CID 17225

IUPACN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3/b16-15+
InChIKeyLSFRFLVWCKLQTO-FOCLMDBBSA-N
MW270.29 g/mol
LogP4.08
Rot. Bonds4

About N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline

N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline (PubChem CID 17225) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline
PubChem CID17225
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC NameN,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline
SMILESCN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3/b16-15+
InChIKeyLSFRFLVWCKLQTO-FOCLMDBBSA-N
XLogP4.08
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.08
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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

C.I. Solvent Yellow 2
CID 6053
N,N-dimethyl-4-nitrosoaniline
CID 8749
Disperse orange 3
CID 12896
4-Nitrodiphenylamine
CID 13271
N-Methyl-4-nitroaniline
CID 7483
Disperse orange 25
CID 92278
N-Ethyl-4-nitroaniline
CID 19318
N,N-Dimethyl-4-nitroaniline
CID 7491
Disperse red 1
CID 17886
Piperidine, 1-(4-nitrophenyl)-
CID 81049
4-Nitrotriphenylamine
CID 350141
N,N-diethyl-4-nitrosoaniline
CID 67115

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline (CID 17225) is N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline is CN(C)c1ccc(/N=N/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline?
The InChIKey is LSFRFLVWCKLQTO-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-17(2)13-7-3-11(4-8-13)15-16-12-5-9-14(10-6-12)18(19)20/h3-10H,1-2H3/b16-15+.
What are the key properties of N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline?
N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline has a molecular weight of 270.29 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 17225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).