N-[(2,3-diethylphenyl)diazenyl]aniline

C16H19N3 — CID 70579613

IUPACN-[(2,3-diethylphenyl)diazenyl]aniline
SMILESCCc1cccc(/N=N/Nc2ccccc2)c1CC
InChIInChI=1S/C16H19N3/c1-3-13-9-8-12-16(15(13)4-2)18-19-17-14-10-6-5-7-11-14/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyRTIZCGRDTLGMDB-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.92
Rot. Bonds5

About N-[(2,3-diethylphenyl)diazenyl]aniline

N-[(2,3-diethylphenyl)diazenyl]aniline (PubChem CID 70579613) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2,3-diethylphenyl)diazenyl]aniline.

Molecular Properties

Compound NameN-[(2,3-diethylphenyl)diazenyl]aniline
PubChem CID70579613
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC NameN-[(2,3-diethylphenyl)diazenyl]aniline
SMILESCCc1cccc(/N=N/Nc2ccccc2)c1CC
InChIInChI=1S/C16H19N3/c1-3-13-9-8-12-16(15(13)4-2)18-19-17-14-10-6-5-7-11-14/h5-12H,3-4H2,1-2H3,(H,17,18)
InChIKeyRTIZCGRDTLGMDB-UHFFFAOYSA-N
XLogP4.92
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,3-diethylphenyl)-N-phenylmethanediimine
CID 87072891
N-[(2-chlorophenyl)diazenyl]aniline
CID 102051457
N-[(2-phenyldiazenylphenyl)diazenyl]aniline
CID 71340001
2-(anilinodiazenyl)benzenethiol
CID 137182856
2,6-diethyl-N-phenylaniline
CID 45095580
1-(2,6-diethylphenyl)-2-phenylhydrazine
CID 19899251
1,2-diethyl-3-isothiocyanatobenzene
CID 122700830
N'-(2,3-diethylphenyl)methanediimine
CID 154466708
carbamic acid;2,3-diethylphenol;methanamine
CID 174684713
1-(2,3-diethylphenyl)propan-2-amine
CID 175188525
1,2-diethyl-3-phenylbenzene;formamide
CID 90113659
2-(aminomethyl)-3-ethylphenol
CID 21467751

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-diethylphenyl)diazenyl]aniline?
The IUPAC name of N-[(2,3-diethylphenyl)diazenyl]aniline (CID 70579613) is N-[(2,3-diethylphenyl)diazenyl]aniline.
What is the SMILES notation for N-[(2,3-diethylphenyl)diazenyl]aniline?
The canonical SMILES for N-[(2,3-diethylphenyl)diazenyl]aniline is CCc1cccc(/N=N/Nc2ccccc2)c1CC.
What is the InChIKey of N-[(2,3-diethylphenyl)diazenyl]aniline?
The InChIKey is RTIZCGRDTLGMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c1-3-13-9-8-12-16(15(13)4-2)18-19-17-14-10-6-5-7-11-14/h5-12H,3-4H2,1-2H3,(H,17,18).
What are the key properties of N-[(2,3-diethylphenyl)diazenyl]aniline?
N-[(2,3-diethylphenyl)diazenyl]aniline has a molecular weight of 253.35 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-diethylphenyl)diazenyl]aniline is sourced from PubChem (CID 70579613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).