N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine

C22H29N — CID 22483109

IUPACN-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCCc1ccc(C(C)/N=C/c2c(C)cc(C)cc2C)c(CC)c1
InChIInChI=1S/C22H29N/c1-7-19-9-10-21(20(8-2)13-19)18(6)23-14-22-16(4)11-15(3)12-17(22)5/h9-14,18H,7-8H2,1-6H3/b23-14+
InChIKeyZBPPBIRXHJZZQK-OEAKJJBVSA-N
MW307.48 g/mol
LogP5.92
Rot. Bonds5

About N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine

N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine (PubChem CID 22483109) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
PubChem CID22483109
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC NameN-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine
SMILESCCc1ccc(C(C)/N=C/c2c(C)cc(C)cc2C)c(CC)c1
InChIInChI=1S/C22H29N/c1-7-19-9-10-21(20(8-2)13-19)18(6)23-14-22-16(4)11-15(3)12-17(22)5/h9-14,18H,7-8H2,1-6H3/b23-14+
InChIKeyZBPPBIRXHJZZQK-OEAKJJBVSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The IUPAC name of N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine (CID 22483109) is N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine.
What is the SMILES notation for N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The canonical SMILES for N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine is CCc1ccc(C(C)/N=C/c2c(C)cc(C)cc2C)c(CC)c1.
What is the InChIKey of N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
The InChIKey is ZBPPBIRXHJZZQK-OEAKJJBVSA-N. The full InChI is InChI=1S/C22H29N/c1-7-19-9-10-21(20(8-2)13-19)18(6)23-14-22-16(4)11-15(3)12-17(22)5/h9-14,18H,7-8H2,1-6H3/b23-14+.
What are the key properties of N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine?
N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine has a molecular weight of 307.48 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-diethylphenyl)ethyl]-1-(2,4,6-trimethylphenyl)methanimine is sourced from PubChem (CID 22483109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).