phenylmethanamine;titanium(2+)

C7H9NTi+2 — CID 21287655

IUPACphenylmethanamine;titanium(2+)
SMILESNCc1ccccc1.[Ti+2]
InChIInChI=1S/C7H9N.Ti/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+2
InChIKeyWSUBCHJRVJEHIN-UHFFFAOYSA-N
MW155.02 g/mol
LogP1.14
Rot. Bonds1

About phenylmethanamine;titanium(2+)

phenylmethanamine;titanium(2+) (PubChem CID 21287655) has the molecular formula C7H9NTi+2 and a molecular weight of 155.02 g/mol. Its IUPAC name is phenylmethanamine;titanium(2+).

Molecular Properties

Compound Namephenylmethanamine;titanium(2+)
PubChem CID21287655
Molecular FormulaC7H9NTi+2
Molecular Weight155.02 g/mol
Exact Mass155.02
IUPAC Namephenylmethanamine;titanium(2+)
SMILESNCc1ccccc1.[Ti+2]
InChIInChI=1S/C7H9N.Ti/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+2
InChIKeyWSUBCHJRVJEHIN-UHFFFAOYSA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.02
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

phenylmethanamine
CID 19864074
phenylmethanamine;trihydrobromide
CID 175177372
phenylmethanamine;dodecahydrobromide
CID 175510511
sodium phenylmethanamine
CID 172793696
CID 174688914
CID 174688914
ethane;phenylmethanamine;vanadium
CID 158602574
difluoromethane;phenylmethanamine
CID 156875485
oxygen(2-);phenylmethanamine;vanadium;hydroxide
CID 11715324
2,2-dimethylpropane;phenylmethanamine
CID 158787980
dibromolead;phenylmethanamine
CID 175060358
carbon dioxide;phenylmethanamine
CID 123245363
phenylmethanamine;tetramethylazanium;hydroxide
CID 174471017

Frequently Asked Questions

What is the IUPAC name of phenylmethanamine;titanium(2+)?
The IUPAC name of phenylmethanamine;titanium(2+) (CID 21287655) is phenylmethanamine;titanium(2+).
What is the SMILES notation for phenylmethanamine;titanium(2+)?
The canonical SMILES for phenylmethanamine;titanium(2+) is NCc1ccccc1.[Ti+2].
What is the InChIKey of phenylmethanamine;titanium(2+)?
The InChIKey is WSUBCHJRVJEHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.Ti/c8-6-7-4-2-1-3-5-7;/h1-5H,6,8H2;/q;+2.
What are the key properties of phenylmethanamine;titanium(2+)?
phenylmethanamine;titanium(2+) has a molecular weight of 155.02 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenylmethanamine;titanium(2+) is sourced from PubChem (CID 21287655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).