N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline

C17H21N3O — CID 10589059

IUPACN,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-4-20(5-2)16-10-6-14(7-11-16)18-19-15-8-12-17(21-3)13-9-15/h6-13H,4-5H2,1-3H3/b19-18+
InChIKeyOGQVMTNUMLTVES-VHEBQXMUSA-N
MW283.38 g/mol
LogP4.96
Rot. Bonds6

About N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline

N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline (PubChem CID 10589059) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
PubChem CID10589059
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline
SMILESCCN(CC)c1ccc(/N=N/c2ccc(OC)cc2)cc1
InChIInChI=1S/C17H21N3O/c1-4-20(5-2)16-10-6-14(7-11-16)18-19-15-8-12-17(21-3)13-9-15/h6-13H,4-5H2,1-3H3/b19-18+
InChIKeyOGQVMTNUMLTVES-VHEBQXMUSA-N
XLogP4.96
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.96
H-Bond Donors ≤ 50
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': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline?
The IUPAC name of N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline (CID 10589059) is N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline is CCN(CC)c1ccc(/N=N/c2ccc(OC)cc2)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline?
The InChIKey is OGQVMTNUMLTVES-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-20(5-2)16-10-6-14(7-11-16)18-19-15-8-12-17(21-3)13-9-15/h6-13H,4-5H2,1-3H3/b19-18+.
What are the key properties of N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline?
N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline has a molecular weight of 283.38 g/mol, XLogP of 4.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methoxyphenyl)diazenyl]aniline is sourced from PubChem (CID 10589059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).