dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide

C17H20Cl2N2Ti-2 — CID 22968050

IUPACdichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
SMILESCc1cccc([N-]CCC[N-]c2cccc(C)c2)c1.Cl[Ti]Cl
InChIInChI=1S/C17H20N2.2ClH.Ti/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17;;;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyPYOLXYYTSKDUAC-UHFFFAOYSA-L
MW371.13 g/mol
LogP6.78
Rot. Bonds6

About dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide

dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide (PubChem CID 22968050) has the molecular formula C17H20Cl2N2Ti-2 and a molecular weight of 371.13 g/mol. Its IUPAC name is dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide.

Molecular Properties

Compound Namedichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
PubChem CID22968050
Molecular FormulaC17H20Cl2N2Ti-2
Molecular Weight371.13 g/mol
Exact Mass370.05
IUPAC Namedichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
SMILESCc1cccc([N-]CCC[N-]c2cccc(C)c2)c1.Cl[Ti]Cl
InChIInChI=1S/C17H20N2.2ClH.Ti/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17;;;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyPYOLXYYTSKDUAC-UHFFFAOYSA-L
XLogP6.78
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.13
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
CID 22968000
dichlorotitanium;toluene
CID 174475913
phosphane;tris(1,3-xylene)
CID 67351774
uranium;1,3-xylene
CID 142096795
argon;1,3-xylene
CID 161468194
ethane;1,3-xylene
CID 54570178
ethane;propane;1,3-xylene
CID 144528046
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethane;pentane;1,3-xylene
CID 142052962
ethane;methane;1,3-xylene
CID 145463381
azane;1,3-xylene;hydrochloride
CID 175000695
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide?
The IUPAC name of dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide (CID 22968050) is dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide.
What is the SMILES notation for dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide?
The canonical SMILES for dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide is Cc1cccc([N-]CCC[N-]c2cccc(C)c2)c1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide?
The InChIKey is PYOLXYYTSKDUAC-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H20N2.2ClH.Ti/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17;;;/h3-4,6-9,12-13H,5,10-11H2,1-2H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide?
dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide has a molecular weight of 371.13 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide is sourced from PubChem (CID 22968050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).