2-methoxyaniline;titanium;trihydrochloride

C7H12Cl3NOTi — CID 174872226

IUPAC2-methoxyaniline;titanium;trihydrochloride
SMILESCOc1ccccc1N.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C7H9NO.3ClH.Ti/c1-9-7-5-3-2-4-6(7)8;;;;/h2-5H,8H2,1H3;3*1H;
InChIKeyMRAWGSMHXQGBPS-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.54
Rot. Bonds1

About 2-methoxyaniline;titanium;trihydrochloride

2-methoxyaniline;titanium;trihydrochloride (PubChem CID 174872226) has the molecular formula C7H12Cl3NOTi and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-methoxyaniline;titanium;trihydrochloride.

Molecular Properties

Compound Name2-methoxyaniline;titanium;trihydrochloride
PubChem CID174872226
Molecular FormulaC7H12Cl3NOTi
Molecular Weight280.41 g/mol
Exact Mass278.95
IUPAC Name2-methoxyaniline;titanium;trihydrochloride
SMILESCOc1ccccc1N.Cl.Cl.Cl.[Ti]
InChIInChI=1S/C7H9NO.3ClH.Ti/c1-9-7-5-3-2-4-6(7)8;;;;/h2-5H,8H2,1H3;3*1H;
InChIKeyMRAWGSMHXQGBPS-UHFFFAOYSA-N
XLogP2.54
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyaniline;titanium;trihydrochloride?
The IUPAC name of 2-methoxyaniline;titanium;trihydrochloride (CID 174872226) is 2-methoxyaniline;titanium;trihydrochloride.
What is the SMILES notation for 2-methoxyaniline;titanium;trihydrochloride?
The canonical SMILES for 2-methoxyaniline;titanium;trihydrochloride is COc1ccccc1N.Cl.Cl.Cl.[Ti].
What is the InChIKey of 2-methoxyaniline;titanium;trihydrochloride?
The InChIKey is MRAWGSMHXQGBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.3ClH.Ti/c1-9-7-5-3-2-4-6(7)8;;;;/h2-5H,8H2,1H3;3*1H;.
What are the key properties of 2-methoxyaniline;titanium;trihydrochloride?
2-methoxyaniline;titanium;trihydrochloride has a molecular weight of 280.41 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyaniline;titanium;trihydrochloride is sourced from PubChem (CID 174872226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).