N,N-diethyl-2-(phenyldiazenylmethyl)aniline

C17H21N3 — CID 54446707

IUPACN,N-diethyl-2-(phenyldiazenylmethyl)aniline
SMILESCCN(CC)c1ccccc1C/N=N/c1ccccc1
InChIInChI=1S/C17H21N3/c1-3-20(4-2)17-13-9-8-10-15(17)14-18-19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3/b19-18+
InChIKeyWSAGITSESHUZRM-VHEBQXMUSA-N
MW267.38 g/mol
LogP4.82
Rot. Bonds6

About N,N-diethyl-2-(phenyldiazenylmethyl)aniline

N,N-diethyl-2-(phenyldiazenylmethyl)aniline (PubChem CID 54446707) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is N,N-diethyl-2-(phenyldiazenylmethyl)aniline.

Molecular Properties

Compound NameN,N-diethyl-2-(phenyldiazenylmethyl)aniline
PubChem CID54446707
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC NameN,N-diethyl-2-(phenyldiazenylmethyl)aniline
SMILESCCN(CC)c1ccccc1C/N=N/c1ccccc1
InChIInChI=1S/C17H21N3/c1-3-20(4-2)17-13-9-8-10-15(17)14-18-19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3/b19-18+
InChIKeyWSAGITSESHUZRM-VHEBQXMUSA-N
XLogP4.82
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-2-(methylaminomethyl)aniline
CID 43243693
3-[2-(diethylamino)phenyl]propanoic acid
CID 28807035
3-[2-(diethylamino)phenyl]-2-methylpropanoic acid
CID 117342727
3-[2-(diethylamino)phenyl]propanal
CID 117293834
N,N-diethyl-2-tetradecylaniline
CID 174968548
N,N-diethyl-2-heptadecylaniline
CID 175210337
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
N,N-diethyl-2-octylaniline;hydrobromide
CID 175207974
(N-ethyl-4-phenyldiazenylanilino)methanol
CID 59882366
N,N-diethyl-2-nonadecylaniline;hydrochloride
CID 175368767
N,N-diethyl-2-pentadecylaniline;hydrochloride
CID 174968496
N,N-dimethyl-4-(phenyldiazenylmethyl)aniline
CID 91244696

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(phenyldiazenylmethyl)aniline?
The IUPAC name of N,N-diethyl-2-(phenyldiazenylmethyl)aniline (CID 54446707) is N,N-diethyl-2-(phenyldiazenylmethyl)aniline.
What is the SMILES notation for N,N-diethyl-2-(phenyldiazenylmethyl)aniline?
The canonical SMILES for N,N-diethyl-2-(phenyldiazenylmethyl)aniline is CCN(CC)c1ccccc1C/N=N/c1ccccc1.
What is the InChIKey of N,N-diethyl-2-(phenyldiazenylmethyl)aniline?
The InChIKey is WSAGITSESHUZRM-VHEBQXMUSA-N. The full InChI is InChI=1S/C17H21N3/c1-3-20(4-2)17-13-9-8-10-15(17)14-18-19-16-11-6-5-7-12-16/h5-13H,3-4,14H2,1-2H3/b19-18+.
What are the key properties of N,N-diethyl-2-(phenyldiazenylmethyl)aniline?
N,N-diethyl-2-(phenyldiazenylmethyl)aniline has a molecular weight of 267.38 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(phenyldiazenylmethyl)aniline is sourced from PubChem (CID 54446707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).