dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine

C16H16Cl2NTi- — CID 58765924

IUPACdichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1[c-]cccc1.Cl[Ti]Cl
InChIInChI=1S/C16H16N.2ClH.Ti/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15;;;/h4-10H,1-3H3;2*1H;/q-1;;;+2/p-2/b17-14+;;;
InChIKeyHWZQBZKAXVEAME-AUQFLERXSA-L
MW341.08 g/mol
LogP5.62
Rot. Bonds2

About dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine

dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine (PubChem CID 58765924) has the molecular formula C16H16Cl2NTi- and a molecular weight of 341.08 g/mol. Its IUPAC name is dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine.

Molecular Properties

Compound Namedichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine
PubChem CID58765924
Molecular FormulaC16H16Cl2NTi-
Molecular Weight341.08 g/mol
Exact Mass340.01
IUPAC Namedichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine
SMILESC/C(=N\c1c(C)cccc1C)c1[c-]cccc1.Cl[Ti]Cl
InChIInChI=1S/C16H16N.2ClH.Ti/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15;;;/h4-10H,1-3H3;2*1H;/q-1;;;+2/p-2/b17-14+;;;
InChIKeyHWZQBZKAXVEAME-AUQFLERXSA-L
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.08
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dimethylphenyl)ethanimidoyl chloride
CID 14927956
chromium;N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine
CID 175164835
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;trichlorochromium
CID 72644654
2-(2,6-dimethylphenyl)guanidine chloride
CID 20543534
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;vanadium;trichloride
CID 173243974
1-[5-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]thiophen-2-yl]-N-(2-methylphenyl)ethanimine
CID 20702020
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-4H-pyran-2-yl]ethanimine
CID 90442442
but-2-en-2-ylbenzene;tungsten(2+)
CID 20767133
2-N,6-N-bis(4-chloro-2,6-dimethylphenyl)pyridine-2,6-dicarboximidoyl chloride
CID 122217199
acetonitrile;2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine;carbanide;palladium
CID 59114907
diphenyl N,N'-bis(2,6-dimethylphenyl)ethanediimidoselenoate
CID 86204980
N-(2,6-dimethylphenyl)-1-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]-2-pyridinyl]ethanimine;2,2-dimethylpropan-1-ol;iron
CID 171405736

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine?
The IUPAC name of dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine (CID 58765924) is dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine.
What is the SMILES notation for dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine?
The canonical SMILES for dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine is C/C(=N\c1c(C)cccc1C)c1[c-]cccc1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine?
The InChIKey is HWZQBZKAXVEAME-AUQFLERXSA-L. The full InChI is InChI=1S/C16H16N.2ClH.Ti/c1-12-8-7-9-13(2)16(12)17-14(3)15-10-5-4-6-11-15;;;/h4-10H,1-3H3;2*1H;/q-1;;;+2/p-2/b17-14+;;;.
What are the key properties of dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine?
dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine has a molecular weight of 341.08 g/mol, XLogP of 5.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;N-(2,6-dimethylphenyl)-1-phenylethanimine is sourced from PubChem (CID 58765924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).