dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide

C19H24Cl2N2Ti-2 — CID 22968000

IUPACdichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
SMILESCc1ccc([N-]CCC[N-]c2ccc(C)cc2C)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C19H24N2.2ClH.Ti/c1-14-6-8-18(16(3)12-14)20-10-5-11-21-19-9-7-15(2)13-17(19)4;;;/h6-9,12-13H,5,10-11H2,1-4H3;2*1H;/q-2;;;+2/p-2
InChIKeyOITLYXLXVUGXJZ-UHFFFAOYSA-L
MW399.19 g/mol
LogP7.40
Rot. Bonds6

About dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide

dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide (PubChem CID 22968000) has the molecular formula C19H24Cl2N2Ti-2 and a molecular weight of 399.19 g/mol. Its IUPAC name is dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide.

Molecular Properties

Compound Namedichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
PubChem CID22968000
Molecular FormulaC19H24Cl2N2Ti-2
Molecular Weight399.19 g/mol
Exact Mass398.08
IUPAC Namedichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide
SMILESCc1ccc([N-]CCC[N-]c2ccc(C)cc2C)c(C)c1.Cl[Ti]Cl
InChIInChI=1S/C19H24N2.2ClH.Ti/c1-14-6-8-18(16(3)12-14)20-10-5-11-21-19-9-7-15(2)13-17(19)4;;;/h6-9,12-13H,5,10-11H2,1-4H3;2*1H;/q-2;;;+2/p-2
InChIKeyOITLYXLXVUGXJZ-UHFFFAOYSA-L
XLogP7.40
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.19
LogP ≤ 57.40
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;(3-methylphenyl)-[3-(3-methylphenyl)azanidylpropyl]azanide
CID 22968050
dichlorotitanium;(2,4-dimethylphenyl)-[2-(4-methylphenyl)azanidylphenyl]azanide
CID 20668898
1,2,4-trimethylbenzene
CID 7247
dichlorotitanium;(2,4,6-trimethylphenyl)-[2-[2-(2,4,6-trimethylphenyl)azanidylethyl-trimethylsilylamino]ethyl]azanide
CID 11635085
butane;ethane;1,2,4-trimethylbenzene
CID 143613706
magnesium;hydride;1-iodo-2,4-dimethylbenzene
CID 173036692
ethane;propane;bis(1,2,4-trimethylbenzene);1,4-xylene
CID 144816879
(2,4-dimethylphenyl)-dimethylbismuthane
CID 87791947
azane;1,2,4-trimethylbenzene;hydrochloride
CID 174988554
3-chloro-4-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 106695027
2,4-dimethyl-1-(2-methylcyclopropyl)benzene
CID 154093761
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide?
The IUPAC name of dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide (CID 22968000) is dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide.
What is the SMILES notation for dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide?
The canonical SMILES for dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide is Cc1ccc([N-]CCC[N-]c2ccc(C)cc2C)c(C)c1.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide?
The InChIKey is OITLYXLXVUGXJZ-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H24N2.2ClH.Ti/c1-14-6-8-18(16(3)12-14)20-10-5-11-21-19-9-7-15(2)13-17(19)4;;;/h6-9,12-13H,5,10-11H2,1-4H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide?
dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide has a molecular weight of 399.19 g/mol, XLogP of 7.40, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;(2,4-dimethylphenyl)-[3-(2,4-dimethylphenyl)azanidylpropyl]azanide is sourced from PubChem (CID 22968000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).