cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride

C15H19Cl3NTi-2 — CID 173326880

IUPACcyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride
SMILESCN(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H14N.C5H5.3ClH.Ti/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;+3/p-3
InChIKeyXEACWYNKODUWSF-UHFFFAOYSA-K
MW367.55 g/mol
LogP-5.88
Rot. Bonds3

About cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride

cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride (PubChem CID 173326880) has the molecular formula C15H19Cl3NTi-2 and a molecular weight of 367.55 g/mol. Its IUPAC name is cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride.

Molecular Properties

Compound Namecyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride
PubChem CID173326880
Molecular FormulaC15H19Cl3NTi-2
Molecular Weight367.55 g/mol
Exact Mass366.01
IUPAC Namecyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride
SMILESCN(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C10H14N.C5H5.3ClH.Ti/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;+3/p-3
InChIKeyXEACWYNKODUWSF-UHFFFAOYSA-K
XLogP-5.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.55
LogP ≤ 5-5.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

cyclopenta-1,3-diene;dimethyl(2-phenylethyl)phosphane;hafnium;trichloride
CID 173325288
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CID 22676391
cyclopenta-1,3-diene;N-phenylaniline;titanium(3+);dichloride
CID 173241560
bis(1,1'-biphenyl);cyclopenta-1,3-diene;iron
CID 173207547
1,1'-biphenyl;bis(cyclopenta-1,3-diene);zirconium(2+)
CID 158996763
bis(cyclopenta-1,3-diene);naphthalene;nickel(2+)
CID 174807203
bis(cyclopenta-1,3-diene);hafnium;hydride;methanidylbenzene
CID 173319869
carbanide;cyclopenta-1,3-diene;N,N-dimethylethanamine;titanium;dihydrochloride
CID 87101474
cyclopenta-1,3-diene;phenol;titanium;chloride
CID 19734747
cyclopenta-1,3-diene;ethane;titanium(4+);chloride
CID 87905661
cyclopenta-1,3-diene;ethane;vanadium;trichloride
CID 173025504
benzene;cyclopenta-1,3-diene;manganese
CID 67644722

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride?
The IUPAC name of cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride (CID 173326880) is cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride.
What is the SMILES notation for cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride?
The canonical SMILES for cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride is CN(C)C[CH-]c1ccccc1.[C-]1=CC=CC1.[Cl-].[Cl-].[Cl-].[Ti+3].
What is the InChIKey of cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride?
The InChIKey is XEACWYNKODUWSF-UHFFFAOYSA-K. The full InChI is InChI=1S/C10H14N.C5H5.3ClH.Ti/c1-11(2)9-8-10-6-4-3-5-7-10;1-2-4-5-3-1;;;;/h3-8H,9H2,1-2H3;1-3H,4H2;3*1H;/q2*-1;;;;+3/p-3.
What are the key properties of cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride?
cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride has a molecular weight of 367.55 g/mol, XLogP of -5.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,3-diene;N,N-dimethyl-2-phenylethanamine;titanium(3+);trichloride is sourced from PubChem (CID 173326880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).