N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine

C12H16IN — CID 90254069

IUPACN-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine
SMILESCc1ccc(I)c(/C=N/C(C)(C)C)c1
InChIInChI=1S/C12H16IN/c1-9-5-6-11(13)10(7-9)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+
InChIKeyKQDJJXBVJBYMPF-RIYZIHGNSA-N
MW301.17 g/mol
LogP3.82
Rot. Bonds1

About N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine

N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine (PubChem CID 90254069) has the molecular formula C12H16IN and a molecular weight of 301.17 g/mol. Its IUPAC name is N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine
PubChem CID90254069
Molecular FormulaC12H16IN
Molecular Weight301.17 g/mol
Exact Mass301.03
IUPAC NameN-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine
SMILESCc1ccc(I)c(/C=N/C(C)(C)C)c1
InChIInChI=1S/C12H16IN/c1-9-5-6-11(13)10(7-9)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+
InChIKeyKQDJJXBVJBYMPF-RIYZIHGNSA-N
XLogP3.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.17
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-1-iodo-4-methylbenzene
CID 146355198
N-[(5-bromo-2-iodophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 171337597
(E)-1-(2,5-dimethylphenyl)-N-[(2-methylpropan-2-yl)oxy]methanimine
CID 141214714
copper;2-[[2,2-dimethyl-3-[(5-methyl-2-oxidophenyl)methylideneamino]propyl]iminomethyl]-4-methylphenolate;hydrate
CID 139084711
1-ethenyl-2-iodo-4-methylbenzene
CID 139713418
magnesium;hydride;1-iodo-2,4-dimethylbenzene
CID 173036692
S-[2-[(E)-tert-butylsulfinyliminomethyl]-4-methylphenyl] ethanethioate
CID 130298368
N-tert-butyl-1-(5-chloro-2,3-dimethylphenyl)methanimine
CID 123980375
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
(R)-N-[(2-bromo-5-methylphenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 167530767
1-iodo-2-(2-iodo-4-methylphenyl)-4-methylbenzene
CID 130307947
1-(2-iodo-4,5-dimethoxyphenyl)-N-(4-methylphenyl)methanimine
CID 102419767

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine?
The IUPAC name of N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine (CID 90254069) is N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine?
The canonical SMILES for N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine is Cc1ccc(I)c(/C=N/C(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine?
The InChIKey is KQDJJXBVJBYMPF-RIYZIHGNSA-N. The full InChI is InChI=1S/C12H16IN/c1-9-5-6-11(13)10(7-9)8-14-12(2,3)4/h5-8H,1-4H3/b14-8+.
What are the key properties of N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine?
N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine has a molecular weight of 301.17 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-iodo-5-methylphenyl)methanimine is sourced from PubChem (CID 90254069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).