2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine

C24H28N2 — CID 160663340

IUPAC2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
SMILES[H]/N=C(/Cc1c(C(C)C)cc(-n2cccc2)cc1C(C)C)c1ccccc1
InChIInChI=1S/C24H28N2/c1-17(2)21-14-20(26-12-8-9-13-26)15-22(18(3)4)23(21)16-24(25)19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b25-24-
InChIKeyJHGNLLXMYGKKGR-IZHYLOQSSA-N
MW344.50 g/mol
LogP6.33
Rot. Bonds6

About 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine

2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine (PubChem CID 160663340) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine.

Molecular Properties

Compound Name2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
PubChem CID160663340
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
SMILES[H]/N=C(/Cc1c(C(C)C)cc(-n2cccc2)cc1C(C)C)c1ccccc1
InChIInChI=1S/C24H28N2/c1-17(2)21-14-20(26-12-8-9-13-26)15-22(18(3)4)23(21)16-24(25)19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b25-24-
InChIKeyJHGNLLXMYGKKGR-IZHYLOQSSA-N
XLogP6.33
TPSA28.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 56.33
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

2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline;2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine
CID 160809863
2,6-di(propan-2-yl)-4-pyrrol-1-ylaniline
CID 138683559
1-phenyl-2-[2,4,6-tri(propan-2-yl)phenyl]ethanone
CID 13297027
2-chloro-1-phenylethanimine
CID 13240605
1-(4-pyrrol-1-ylphenyl)ethanimine
CID 145051037
2-(2-imino-2-phenylethyl)benzoic acid
CID 91037866
(2-benzoyloxy-3-butyl-4-propan-2-yl-6-propylphenyl) benzoate
CID 87398903
(4-imino-4-phenylbutan-2-yl) formate
CID 174425924
3-methyl-1-phenylbutan-2-imine
CID 54004198
1-phenyl-4-(2,2,5,5-tetramethyl-1,2,5-azadisilolidin-1-yl)butan-1-imine
CID 10573468
2-pent-4-en-2-yloxy-1-phenylethanimine
CID 155301968
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 3-pyrrol-1-ylbenzoate
CID 40689647

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine?
The IUPAC name of 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine (CID 160663340) is 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine.
What is the SMILES notation for 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine?
The canonical SMILES for 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine is [H]/N=C(/Cc1c(C(C)C)cc(-n2cccc2)cc1C(C)C)c1ccccc1.
What is the InChIKey of 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine?
The InChIKey is JHGNLLXMYGKKGR-IZHYLOQSSA-N. The full InChI is InChI=1S/C24H28N2/c1-17(2)21-14-20(26-12-8-9-13-26)15-22(18(3)4)23(21)16-24(25)19-10-6-5-7-11-19/h5-15,17-18,25H,16H2,1-4H3/b25-24-.
What are the key properties of 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine?
2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine has a molecular weight of 344.50 g/mol, XLogP of 6.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-di(propan-2-yl)-4-pyrrol-1-ylphenyl]-1-phenylethanimine is sourced from PubChem (CID 160663340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).