N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium

C16H17Cl2NOZr — CID 59034627

IUPACN-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium
SMILESCOc1c(C)cccc1/C=N/Cc1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C16H17NO.2ClH.Zr/c1-13-7-6-10-15(16(13)18-2)12-17-11-14-8-4-3-5-9-14;;;/h3-10,12H,11H2,1-2H3;2*1H;/q;;;+2/p-2/b17-12+;;;
InChIKeyYBIKAOHFWNQBRB-DPSBJRLESA-L
MW401.45 g/mol
LogP5.00
Rot. Bonds4

About N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium

N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium (PubChem CID 59034627) has the molecular formula C16H17Cl2NOZr and a molecular weight of 401.45 g/mol. Its IUPAC name is N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium.

Molecular Properties

Compound NameN-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium
PubChem CID59034627
Molecular FormulaC16H17Cl2NOZr
Molecular Weight401.45 g/mol
Exact Mass398.97
IUPAC NameN-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium
SMILESCOc1c(C)cccc1/C=N/Cc1ccccc1.Cl[Zr]Cl
InChIInChI=1S/C16H17NO.2ClH.Zr/c1-13-7-6-10-15(16(13)18-2)12-17-11-14-8-4-3-5-9-14;;;/h3-10,12H,11H2,1-2H3;2*1H;/q;;;+2/p-2/b17-12+;;;
InChIKeyYBIKAOHFWNQBRB-DPSBJRLESA-L
XLogP5.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[12-[[amino-(2-methoxyphenyl)methylidene]amino]dodecyl]-2-methoxybenzenecarboximidamide;dihydrochloride
CID 52942914
4-(2-methoxyphenyl)-5-methyl-2-(4-methylphenyl)-2H-imidazole
CID 4365104
Benzylamine, p-methoxy-N-(p-methoxybenzylidene)-
CID 578709
p-Methoxybenzylidene-benzyl-amine
CID 525701
(4-Methoxybenzyl)(4-methylbenzylidene)amine
CID 3424439
N,N'-Bis-(4-methoxy-benzylidene)-hexane-1,6-diamine
CID 260229
MeSalen
CID 351175
1-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]methanimine
CID 101574390
Benzenemethanimine, N,N'-[1,6-hexanediyl]bis[2-methoxy-
CID 260231
N-(2-Methoxybenzylidene)-3,5-xylidine
CID 4521257
N-benzyl-1-(3-fluoro-2-methoxyphenyl)methanimine
CID 176435517
(1S)-N-((4-methoxyphenyl)methylidene)-1-phenylethanamine
CID 778491

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium?
The IUPAC name of N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium (CID 59034627) is N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium.
What is the SMILES notation for N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium?
The canonical SMILES for N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium is COc1c(C)cccc1/C=N/Cc1ccccc1.Cl[Zr]Cl.
What is the InChIKey of N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium?
The InChIKey is YBIKAOHFWNQBRB-DPSBJRLESA-L. The full InChI is InChI=1S/C16H17NO.2ClH.Zr/c1-13-7-6-10-15(16(13)18-2)12-17-11-14-8-4-3-5-9-14;;;/h3-10,12H,11H2,1-2H3;2*1H;/q;;;+2/p-2/b17-12+;;;.
What are the key properties of N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium?
N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium has a molecular weight of 401.45 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(2-methoxy-3-methylphenyl)methanimine;dichlorozirconium is sourced from PubChem (CID 59034627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).