dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide

C15H16Cl2N2Ti-2 — CID 22968797

IUPACdichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide
SMILESC[N-]c1ccccc1Cc1ccccc1[N-]C.Cl[Ti]Cl
InChIInChI=1S/C15H16N2.2ClH.Ti/c1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;;;/h3-10H,11H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyQGZODCFDJSTGQS-UHFFFAOYSA-L
MW343.08 g/mol
LogP5.92
Rot. Bonds4

About dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide

dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide (PubChem CID 22968797) has the molecular formula C15H16Cl2N2Ti-2 and a molecular weight of 343.08 g/mol. Its IUPAC name is dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide.

Molecular Properties

Compound Namedichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide
PubChem CID22968797
Molecular FormulaC15H16Cl2N2Ti-2
Molecular Weight343.08 g/mol
Exact Mass342.02
IUPAC Namedichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide
SMILESC[N-]c1ccccc1Cc1ccccc1[N-]C.Cl[Ti]Cl
InChIInChI=1S/C15H16N2.2ClH.Ti/c1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;;;/h3-10H,11H2,1-2H3;2*1H;/q-2;;;+2/p-2
InChIKeyQGZODCFDJSTGQS-UHFFFAOYSA-L
XLogP5.92
TPSA28.20 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.08
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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1-(chloromethyl)-2-ethylbenzene
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CID 66760372
CID 66760372

Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide?
The IUPAC name of dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide (CID 22968797) is dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide.
What is the SMILES notation for dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide?
The canonical SMILES for dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide is C[N-]c1ccccc1Cc1ccccc1[N-]C.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide?
The InChIKey is QGZODCFDJSTGQS-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H16N2.2ClH.Ti/c1-16-14-9-5-3-7-12(14)11-13-8-4-6-10-15(13)17-2;;;/h3-10H,11H2,1-2H3;2*1H;/q-2;;;+2/p-2.
What are the key properties of dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide?
dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide has a molecular weight of 343.08 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;methyl-[2-[(2-methylazanidylphenyl)methyl]phenyl]azanide is sourced from PubChem (CID 22968797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).