(2,6-dimethylphenyl)iminotitanium(2+)

C8H9NTi+2 — CID 11384908

IUPAC(2,6-dimethylphenyl)iminotitanium(2+)
SMILESCc1cccc(C)c1N=[Ti+2]
InChIInChI=1S/C8H9N.Ti/c1-6-4-3-5-7(2)8(6)9;/h3-5H,1-2H3;/q;+2
InChIKeyRKBYVMIZALRVLO-UHFFFAOYSA-N
MW167.03 g/mol
LogP2.67
Rot. Bonds1

About (2,6-dimethylphenyl)iminotitanium(2+)

(2,6-dimethylphenyl)iminotitanium(2+) (PubChem CID 11384908) has the molecular formula C8H9NTi+2 and a molecular weight of 167.03 g/mol. Its IUPAC name is (2,6-dimethylphenyl)iminotitanium(2+).

Molecular Properties

Compound Name(2,6-dimethylphenyl)iminotitanium(2+)
PubChem CID11384908
Molecular FormulaC8H9NTi+2
Molecular Weight167.03 g/mol
Exact Mass167.02
IUPAC Name(2,6-dimethylphenyl)iminotitanium(2+)
SMILESCc1cccc(C)c1N=[Ti+2]
InChIInChI=1S/C8H9N.Ti/c1-6-4-3-5-7(2)8(6)9;/h3-5H,1-2H3;/q;+2
InChIKeyRKBYVMIZALRVLO-UHFFFAOYSA-N
XLogP2.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.03
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)iminotitanium(2+)?
The IUPAC name of (2,6-dimethylphenyl)iminotitanium(2+) (CID 11384908) is (2,6-dimethylphenyl)iminotitanium(2+).
What is the SMILES notation for (2,6-dimethylphenyl)iminotitanium(2+)?
The canonical SMILES for (2,6-dimethylphenyl)iminotitanium(2+) is Cc1cccc(C)c1N=[Ti+2].
What is the InChIKey of (2,6-dimethylphenyl)iminotitanium(2+)?
The InChIKey is RKBYVMIZALRVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N.Ti/c1-6-4-3-5-7(2)8(6)9;/h3-5H,1-2H3;/q;+2.
What are the key properties of (2,6-dimethylphenyl)iminotitanium(2+)?
(2,6-dimethylphenyl)iminotitanium(2+) has a molecular weight of 167.03 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)iminotitanium(2+) is sourced from PubChem (CID 11384908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).