N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline

C25H28N2 — CID 102278208

IUPACN-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1/N=C(/CNc1c(C)cccc1C)Cc1ccccc1
InChIInChI=1S/C25H28N2/c1-18-10-8-11-19(2)24(18)26-17-23(16-22-14-6-5-7-15-22)27-25-20(3)12-9-13-21(25)4/h5-15,26H,16-17H2,1-4H3/b27-23+
InChIKeyAJTFSSFRIYAFTI-SLEBQGDGSA-N
MW356.51 g/mol
LogP6.35
Rot. Bonds6

About N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline

N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline (PubChem CID 102278208) has the molecular formula C25H28N2 and a molecular weight of 356.51 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline
PubChem CID102278208
Molecular FormulaC25H28N2
Molecular Weight356.51 g/mol
Exact Mass356.23
IUPAC NameN-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline
SMILESCc1cccc(C)c1/N=C(/CNc1c(C)cccc1C)Cc1ccccc1
InChIInChI=1S/C25H28N2/c1-18-10-8-11-19(2)24(18)26-17-23(16-22-14-6-5-7-15-22)27-25-20(3)12-9-13-21(25)4/h5-15,26H,16-17H2,1-4H3/b27-23+
InChIKeyAJTFSSFRIYAFTI-SLEBQGDGSA-N
XLogP6.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-dimethylaniline
CID 101440233
N-[2-[2,6-di(propan-2-yl)phenyl]imino-3-phenylpropyl]-2,6-di(propan-2-yl)aniline
CID 102088416
2-[4-[(2,6-dimethylanilino)methyl]phenyl]acetic acid
CID 103247796
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-phenylacetamide
CID 7676704
2-[(2,6-dimethylanilino)methyl]phenol
CID 4863460
N-benzyl-2-(2,6-dimethylanilino)-N-(2-hydroxyethyl)acetamide
CID 111565385
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 112997001
N-(5-benzyl-1,3-thiazol-2-yl)-2-(2,6-dimethylanilino)acetamide
CID 2240018
N,N'-bis(2,6-dimethylphenyl)methanediamine
CID 21130207
2,6-dimethyl-N-(2-methylidenebutyl)aniline
CID 66044989
2-(2-ethyl-6-methylanilino)-1-phenylethanone
CID 94270514
1,2-diphenyl-N-(2,4,6-trimethylphenyl)ethanimine
CID 58339608

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline?
The IUPAC name of N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline (CID 102278208) is N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline.
What is the SMILES notation for N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline?
The canonical SMILES for N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline is Cc1cccc(C)c1/N=C(/CNc1c(C)cccc1C)Cc1ccccc1.
What is the InChIKey of N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline?
The InChIKey is AJTFSSFRIYAFTI-SLEBQGDGSA-N. The full InChI is InChI=1S/C25H28N2/c1-18-10-8-11-19(2)24(18)26-17-23(16-22-14-6-5-7-15-22)27-25-20(3)12-9-13-21(25)4/h5-15,26H,16-17H2,1-4H3/b27-23+.
What are the key properties of N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline?
N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline has a molecular weight of 356.51 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenyl)imino-3-phenylpropyl]-2,6-dimethylaniline is sourced from PubChem (CID 102278208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).