4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline

C21H23N3 — CID 2054978

IUPAC4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C21H23N3/c1-3-24(4-2)17-13-11-16(12-14-17)21-22-18-9-5-7-15-8-6-10-19(23-21)20(15)18/h5-14,21-23H,3-4H2,1-2H3
InChIKeyLIZNKYZBJLWGDJ-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.22
Rot. Bonds4

About 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline

4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline (PubChem CID 2054978) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline
PubChem CID2054978
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline
SMILESCCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1
InChIInChI=1S/C21H23N3/c1-3-24(4-2)17-13-11-16(12-14-17)21-22-18-9-5-7-15-8-6-10-19(23-21)20(15)18/h5-14,21-23H,3-4H2,1-2H3
InChIKeyLIZNKYZBJLWGDJ-UHFFFAOYSA-N
XLogP5.22
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'naphth_amino_B(25)', 'substructure': 'N/A'}

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Related Compounds

Sudan Black B
CID 61336
1-Benzyl-3-(1-naphthyl)urea
CID 668231
1-(1-Naphthyl)piperazine
CID 1342
1-(Naphthalen-2-yl)piperazine
CID 2760172
1-(1-Naphthyl)-3-(P-tolyl)urea
CID 295006
2,2-Dimethyl-2,3-dihydroperimidine
CID 72628
2-(2,6-dichlorophenyl)-2,3-dihydro-1H-perimidine
CID 727019
2-(2-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 256654
2-(4-chlorophenyl)-2,3-dihydro-1H-perimidine
CID 255085
2-(2-chloro-6-fluorophenyl)-2,3-dihydro-1H-perimidine
CID 668462
2-(3-nitrophenyl)-2,3-dihydro-1H-perimidine
CID 727031
2-p-Tolyl-2,3-dihydro-1H-perimidine
CID 727034

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline?
The IUPAC name of 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline (CID 2054978) is 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline.
What is the SMILES notation for 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline?
The canonical SMILES for 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline is CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)cc1.
What is the InChIKey of 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline?
The InChIKey is LIZNKYZBJLWGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-3-24(4-2)17-13-11-16(12-14-17)21-22-18-9-5-7-15-8-6-10-19(23-21)20(15)18/h5-14,21-23H,3-4H2,1-2H3.
What are the key properties of 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline?
4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline has a molecular weight of 317.44 g/mol, XLogP of 5.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-perimidin-2-yl)-N,N-diethylaniline is sourced from PubChem (CID 2054978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).