N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline

C20H26N2 — CID 1378244

IUPACN,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H26N2/c1-6-22(7-2)19-10-8-18(9-11-19)14-21-20-16(4)12-15(3)13-17(20)5/h8-14H,6-7H2,1-5H3/b21-14+
InChIKeyZHVMRUYBHYYPOZ-KGENOOAVSA-N
MW294.44 g/mol
LogP5.21
Rot. Bonds5

About N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline

N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline (PubChem CID 1378244) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline.

Molecular Properties

Compound NameN,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
PubChem CID1378244
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline
SMILESCCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C20H26N2/c1-6-22(7-2)19-10-8-18(9-11-19)14-21-20-16(4)12-15(3)13-17(20)5/h8-14H,6-7H2,1-5H3/b21-14+
InChIKeyZHVMRUYBHYYPOZ-KGENOOAVSA-N
XLogP5.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The IUPAC name of N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline (CID 1378244) is N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline.
What is the SMILES notation for N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The canonical SMILES for N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline is CCN(CC)c1ccc(/C=N/c2c(C)cc(C)cc2C)cc1.
What is the InChIKey of N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
The InChIKey is ZHVMRUYBHYYPOZ-KGENOOAVSA-N. The full InChI is InChI=1S/C20H26N2/c1-6-22(7-2)19-10-8-18(9-11-19)14-21-20-16(4)12-15(3)13-17(20)5/h8-14H,6-7H2,1-5H3/b21-14+.
What are the key properties of N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline?
N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline has a molecular weight of 294.44 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(2,4,6-trimethylphenyl)iminomethyl]aniline is sourced from PubChem (CID 1378244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).