N'-(2,3-diethylphenyl)-N-phenylmethanediimine

C17H18N2 — CID 87072891

IUPACN'-(2,3-diethylphenyl)-N-phenylmethanediimine
SMILESCCc1cccc(N=C=Nc2ccccc2)c1CC
InChIInChI=1S/C17H18N2/c1-3-14-9-8-12-17(16(14)4-2)19-13-18-15-10-6-5-7-11-15/h5-12H,3-4H2,1-2H3
InChIKeyWYLSKWDWHWKNOE-UHFFFAOYSA-N
MW250.34 g/mol
LogP4.95
Rot. Bonds4

About N'-(2,3-diethylphenyl)-N-phenylmethanediimine

N'-(2,3-diethylphenyl)-N-phenylmethanediimine (PubChem CID 87072891) has the molecular formula C17H18N2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N'-(2,3-diethylphenyl)-N-phenylmethanediimine.

Molecular Properties

Compound NameN'-(2,3-diethylphenyl)-N-phenylmethanediimine
PubChem CID87072891
Molecular FormulaC17H18N2
Molecular Weight250.34 g/mol
Exact Mass250.15
IUPAC NameN'-(2,3-diethylphenyl)-N-phenylmethanediimine
SMILESCCc1cccc(N=C=Nc2ccccc2)c1CC
InChIInChI=1S/C17H18N2/c1-3-14-9-8-12-17(16(14)4-2)19-13-18-15-10-6-5-7-11-15/h5-12H,3-4H2,1-2H3
InChIKeyWYLSKWDWHWKNOE-UHFFFAOYSA-N
XLogP4.95
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-diethyl-3-isothiocyanatobenzene
CID 122700830
N'-(2,3-diethylphenyl)methanediimine
CID 154466708
N,N'-diphenylmethanediimine;fluoromethane
CID 158642010
N'-(2,3-dimethylphenyl)-N-phenylmethanediimine
CID 154114058
N-[(2,3-diethylphenyl)diazenyl]aniline
CID 70579613
1-ethyl-2-isocyanatobenzene
CID 583486
1-ethyl-2-hexyl-3-isocyanatobenzene
CID 88782236
N-phenyl-N'-(2-prop-1-ynylphenyl)methanediimine
CID 10489748
benzene;ethane;isocyanatobenzene;propane
CID 158706801
1,3-diisocyanato-2-propylbenzene
CID 141450228
1,2-diethyl-3-phenylbenzene;oxalonitrile
CID 174716651
anisole;N,N'-diphenylmethanediimine
CID 157139667

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-diethylphenyl)-N-phenylmethanediimine?
The IUPAC name of N'-(2,3-diethylphenyl)-N-phenylmethanediimine (CID 87072891) is N'-(2,3-diethylphenyl)-N-phenylmethanediimine.
What is the SMILES notation for N'-(2,3-diethylphenyl)-N-phenylmethanediimine?
The canonical SMILES for N'-(2,3-diethylphenyl)-N-phenylmethanediimine is CCc1cccc(N=C=Nc2ccccc2)c1CC.
What is the InChIKey of N'-(2,3-diethylphenyl)-N-phenylmethanediimine?
The InChIKey is WYLSKWDWHWKNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2/c1-3-14-9-8-12-17(16(14)4-2)19-13-18-15-10-6-5-7-11-15/h5-12H,3-4H2,1-2H3.
What are the key properties of N'-(2,3-diethylphenyl)-N-phenylmethanediimine?
N'-(2,3-diethylphenyl)-N-phenylmethanediimine has a molecular weight of 250.34 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-diethylphenyl)-N-phenylmethanediimine is sourced from PubChem (CID 87072891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).