N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline

C19H24N4O2 — CID 4296139

IUPACN,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline
SMILESCc1cc(N(C)C)ccc1/N=N/c1c(C)c(C)c([N+](=O)[O-])c(C)c1C
InChIInChI=1S/C19H24N4O2/c1-11-10-16(22(6)7)8-9-17(11)20-21-18-12(2)14(4)19(23(24)25)15(5)13(18)3/h8-10H,1-7H3/b21-20+
InChIKeyMSPOEHLRWULPPV-QZQOTICOSA-N
MW340.43 g/mol
LogP5.62
Rot. Bonds4

About N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline

N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline (PubChem CID 4296139) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline
PubChem CID4296139
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline
SMILESCc1cc(N(C)C)ccc1/N=N/c1c(C)c(C)c([N+](=O)[O-])c(C)c1C
InChIInChI=1S/C19H24N4O2/c1-11-10-16(22(6)7)8-9-17(11)20-21-18-12(2)14(4)19(23(24)25)15(5)13(18)3/h8-10H,1-7H3/b21-20+
InChIKeyMSPOEHLRWULPPV-QZQOTICOSA-N
XLogP5.62
TPSA71.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.62
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

4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-N,3-dimethylaniline
CID 154532686
1-N,1-N-dimethyl-4-[(5-nitro-2-pyridinyl)diazenyl]benzene-1,3-diamine
CID 86181783
methane;N,N,3-trimethyl-4-[(3-methyl-1,3-thiazol-3-ium-2-yl)diazenyl]aniline
CID 159162434
N,N-dimethyl-4-[[3-methyl-4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazenyl]aniline
CID 88874798
N,N-dimethyl-3-nitro-4-(pyridin-1-ium-3-yldiazenyl)aniline iodide
CID 122626353
2-[N-(2-hydroxyethyl)-4-[(2-methyl-4-nitrophenyl)diazenyl]anilino]ethanol
CID 71387840
2-[3-methyl-4-[(4-nitrophenyl)diazenyl]-N-propylanilino]ethanol
CID 165108289
N,N,3,4-tetramethylaniline
CID 12595466
4-[(1-ethylpyridin-1-ium-3-yl)diazenyl]-N,N,3-trimethylaniline
CID 18720653
2,4,5-trimethyl-3-nitroaniline
CID 826113
2-[2-[[4-(dimethylamino)-2-methylphenyl]diazenyl]-1,3-thiazol-3-ium-3-yl]acetic acid
CID 59327701
2-(6-hydroxy-2,3,4-trimethylphenyl)-3,4,5-trimethyl-6-[(2,3,4,5-tetramethyl-6-nitrophenyl)diazenyl]phenol
CID 135733743

Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline?
The IUPAC name of N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline (CID 4296139) is N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline.
What is the SMILES notation for N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline?
The canonical SMILES for N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline is Cc1cc(N(C)C)ccc1/N=N/c1c(C)c(C)c([N+](=O)[O-])c(C)c1C.
What is the InChIKey of N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline?
The InChIKey is MSPOEHLRWULPPV-QZQOTICOSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-11-10-16(22(6)7)8-9-17(11)20-21-18-12(2)14(4)19(23(24)25)15(5)13(18)3/h8-10H,1-7H3/b21-20+.
What are the key properties of N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline?
N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline has a molecular weight of 340.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-4-[(2,3,5,6-tetramethyl-4-nitrophenyl)diazenyl]aniline is sourced from PubChem (CID 4296139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).