dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium

C18H20Cl2NRu+ — CID 140664615

IUPACdichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium
SMILESCC(C)[CH+]c1ccccc1NCc1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H20N.2ClH.Ru/c1-14(2)12-16-9-6-7-11-18(16)19-13-17-10-5-4-8-15(17)3;;;/h3-12,14,19H,13H2,1-2H3;2*1H;/q+1;;;+2/p-2
InChIKeyRYCAKEXHIWWFGM-UHFFFAOYSA-L
MW422.34 g/mol
LogP5.58
Rot. Bonds6

About dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium

dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium (PubChem CID 140664615) has the molecular formula C18H20Cl2NRu+ and a molecular weight of 422.34 g/mol. Its IUPAC name is dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium
PubChem CID140664615
Molecular FormulaC18H20Cl2NRu+
Molecular Weight422.34 g/mol
Exact Mass422.00
IUPAC Namedichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium
SMILESCC(C)[CH+]c1ccccc1NCc1ccccc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H20N.2ClH.Ru/c1-14(2)12-16-9-6-7-11-18(16)19-13-17-10-5-4-8-15(17)3;;;/h3-12,14,19H,13H2,1-2H3;2*1H;/q+1;;;+2/p-2
InChIKeyRYCAKEXHIWWFGM-UHFFFAOYSA-L
XLogP5.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.34
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium (CID 140664615) is dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium is CC(C)[CH+]c1ccccc1NCc1ccccc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium?
The InChIKey is RYCAKEXHIWWFGM-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H20N.2ClH.Ru/c1-14(2)12-16-9-6-7-11-18(16)19-13-17-10-5-4-8-15(17)3;;;/h3-12,14,19H,13H2,1-2H3;2*1H;/q+1;;;+2/p-2.
What are the key properties of dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium?
dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium has a molecular weight of 422.34 g/mol, XLogP of 5.58, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[2-[[2-(2-methylpropyl)anilino]methyl]phenyl]methylidene]ruthenium is sourced from PubChem (CID 140664615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).