benzylidene-methyl-(2-phenylethyl)azanium

C16H18N+ — CID 23221595

IUPACbenzylidene-methyl-(2-phenylethyl)azanium
SMILESC/[N+](=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H18N/c1-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/q+1/b17-14+
InChIKeyMNYQUHWXXFESRA-SAPNQHFASA-N
MW224.33 g/mol
LogP2.99
Rot. Bonds4

About benzylidene-methyl-(2-phenylethyl)azanium

benzylidene-methyl-(2-phenylethyl)azanium (PubChem CID 23221595) has the molecular formula C16H18N+ and a molecular weight of 224.33 g/mol. Its IUPAC name is benzylidene-methyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Namebenzylidene-methyl-(2-phenylethyl)azanium
PubChem CID23221595
Molecular FormulaC16H18N+
Molecular Weight224.33 g/mol
Exact Mass224.14
IUPAC Namebenzylidene-methyl-(2-phenylethyl)azanium
SMILESC/[N+](=C\c1ccccc1)CCc1ccccc1
InChIInChI=1S/C16H18N/c1-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/q+1/b17-14+
InChIKeyMNYQUHWXXFESRA-SAPNQHFASA-N
XLogP2.99
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-(2-phenylethyl)methanimine oxide
CID 86223025
1-phenyl-N-(3-phenylpropyl)methanimine oxide
CID 53396692
benzene;2-phenylethylbenzene
CID 18982764
ethane;methane;2-phenylethylbenzene
CID 158652330
hafnium;2-phenylethylbenzene
CID 173109801
2-(4-phenylbut-3-enoxy)ethylbenzene
CID 175183681
alumane;2-phenylethylbenzene;hydrobromide
CID 173446278
4-phenylbutylbenzene
CID 141301927
but-1-enylbenzene;but-3-enylbenzene
CID 161099431
4-[methyl(2-phenylethyl)amino]benzaldehyde
CID 65487426
N-benzyl-1-[4-[(E)-[benzyl(oxido)azaniumylidene]methyl]phenyl]methanimine oxide
CID 139236481
propylbenzene;hydrobromide
CID 70024036

Frequently Asked Questions

What is the IUPAC name of benzylidene-methyl-(2-phenylethyl)azanium?
The IUPAC name of benzylidene-methyl-(2-phenylethyl)azanium (CID 23221595) is benzylidene-methyl-(2-phenylethyl)azanium.
What is the SMILES notation for benzylidene-methyl-(2-phenylethyl)azanium?
The canonical SMILES for benzylidene-methyl-(2-phenylethyl)azanium is C/[N+](=C\c1ccccc1)CCc1ccccc1.
What is the InChIKey of benzylidene-methyl-(2-phenylethyl)azanium?
The InChIKey is MNYQUHWXXFESRA-SAPNQHFASA-N. The full InChI is InChI=1S/C16H18N/c1-17(14-16-10-6-3-7-11-16)13-12-15-8-4-2-5-9-15/h2-11,14H,12-13H2,1H3/q+1/b17-14+.
What are the key properties of benzylidene-methyl-(2-phenylethyl)azanium?
benzylidene-methyl-(2-phenylethyl)azanium has a molecular weight of 224.33 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-methyl-(2-phenylethyl)azanium is sourced from PubChem (CID 23221595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).