dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium

C18H20Cl3NORu — CID 140664640

IUPACdichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccccc1N(C)Cc1ccc(Cl)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H20ClNO.2ClH.Ru/c1-13(2)21-18-8-6-5-7-17(18)20(4)12-15-9-10-16(19)11-14(15)3;;;/h3,5-11,13H,12H2,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeyIUSRNWVMFLKRCS-UHFFFAOYSA-L
MW473.79 g/mol
LogP5.84
Rot. Bonds6

About dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium

dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium (PubChem CID 140664640) has the molecular formula C18H20Cl3NORu and a molecular weight of 473.79 g/mol. Its IUPAC name is dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium.

Molecular Properties

Compound Namedichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
PubChem CID140664640
Molecular FormulaC18H20Cl3NORu
Molecular Weight473.79 g/mol
Exact Mass472.97
IUPAC Namedichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
SMILESCC(C)Oc1ccccc1N(C)Cc1ccc(Cl)cc1C=[Ru](Cl)Cl
InChIInChI=1S/C18H20ClNO.2ClH.Ru/c1-13(2)21-18-8-6-5-7-17(18)20(4)12-15-9-10-16(19)11-14(15)3;;;/h3,5-11,13H,12H2,1-2,4H3;2*1H;/q;;;+2/p-2
InChIKeyIUSRNWVMFLKRCS-UHFFFAOYSA-L
XLogP5.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium with MolForge

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Related Compounds

carbanide;dichloro-[(2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 20816790
dichloro-[[5-(dimethylsulfamoyl)-2-[(2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium
CID 58350325
4-chloro-2-[(2-methoxy-N-methylanilino)methyl]phenol
CID 82978276
dichloro-[[2-propan-2-yloxy-5-[(trimethylazaniumyl)methyl]phenyl]methylidene]ruthenium
CID 167346276
methyl 3-(N-methyl-2-propan-2-yloxyanilino)propanoate
CID 117029474
dichloro-[(5-methoxy-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 153434955
dichloro-[[5-[ethoxy(phenyl)phosphoryl]-2-propan-2-yloxyphenyl]methylidene]ruthenium
CID 59154106
N'-(2,5-dichlorophenyl)-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 54809748
dichloro-[(5-formyl-2-propan-2-yloxyphenyl)methylidene]ruthenium
CID 140664604
2-(2-aminoethyl)-N-[(2-bromophenyl)methyl]-5-chloro-N-methylaniline
CID 114861370
(E)-3-(5-chloro-2-propan-2-yloxyphenyl)prop-2-enoyl chloride
CID 102538031
5-chloro-2-(chloromethyl)-N-(2-methoxyphenyl)-N-methylaniline
CID 114846581

Frequently Asked Questions

What is the IUPAC name of dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The IUPAC name of dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium (CID 140664640) is dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium.
What is the SMILES notation for dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The canonical SMILES for dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium is CC(C)Oc1ccccc1N(C)Cc1ccc(Cl)cc1C=[Ru](Cl)Cl.
What is the InChIKey of dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
The InChIKey is IUSRNWVMFLKRCS-UHFFFAOYSA-L. The full InChI is InChI=1S/C18H20ClNO.2ClH.Ru/c1-13(2)21-18-8-6-5-7-17(18)20(4)12-15-9-10-16(19)11-14(15)3;;;/h3,5-11,13H,12H2,1-2,4H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium?
dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium has a molecular weight of 473.79 g/mol, XLogP of 5.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[[5-chloro-2-[(N-methyl-2-propan-2-yloxyanilino)methyl]phenyl]methylidene]ruthenium is sourced from PubChem (CID 140664640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).