N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine

C16H15I2NO — CID 22483313

IUPACN-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/C(C)c2ccc(I)cc2I)cc1
InChIInChI=1S/C16H15I2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3/b19-10+
InChIKeyYINMFYFXJJQNGJ-VXLYETTFSA-N
MW491.11 g/mol
LogP5.08
Rot. Bonds4

About N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine

N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine (PubChem CID 22483313) has the molecular formula C16H15I2NO and a molecular weight of 491.11 g/mol. Its IUPAC name is N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound NameN-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine
PubChem CID22483313
Molecular FormulaC16H15I2NO
Molecular Weight491.11 g/mol
Exact Mass490.92
IUPAC NameN-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine
SMILESCOc1ccc(/C=N/C(C)c2ccc(I)cc2I)cc1
InChIInChI=1S/C16H15I2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3/b19-10+
InChIKeyYINMFYFXJJQNGJ-VXLYETTFSA-N
XLogP5.08
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.11
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(2,4-diiodophenyl)ethyl]-1-(2,6-dimethylphenyl)methanimine
CID 22483055
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
(E)-N-(1-methoxyethyl)-1-(4-methoxyphenyl)methanimine
CID 10465201
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
2-[1-[(3-methoxyphenyl)methylideneamino]ethyl]aniline
CID 139982453
methyl 2-[(4-methoxyphenyl)methylideneamino]propanoate
CID 13240768
methyl (2S)-2-[(4-methoxyphenyl)methylideneamino]-3-methylbutanoate
CID 10377371
N-methoxy-1-(4-methoxyphenyl)methanimine
CID 520640
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
1-(3,5-dimethoxyphenyl)-N-(1-phenylethyl)methanimine
CID 134883991
1-(3,4-dimethoxyphenyl)-N-[1-(2,3,4-trichlorophenyl)ethyl]methanimine
CID 22483253
1-(4-methoxyphenyl)-N-methylmethanimine;propane
CID 142550008

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine (CID 22483313) is N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine is COc1ccc(/C=N/C(C)c2ccc(I)cc2I)cc1.
What is the InChIKey of N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is YINMFYFXJJQNGJ-VXLYETTFSA-N. The full InChI is InChI=1S/C16H15I2NO/c1-11(15-8-5-13(17)9-16(15)18)19-10-12-3-6-14(20-2)7-4-12/h3-11H,1-2H3/b19-10+.
What are the key properties of N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine?
N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 491.11 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-diiodophenyl)ethyl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 22483313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).