cyanomethyl(2-phenylmethoxyethyl)azanium

C11H15N2O+ — CID 140671174

IUPACcyanomethyl(2-phenylmethoxyethyl)azanium
SMILESN#CC[NH2+]CCOCc1ccccc1
InChIInChI=1S/C11H14N2O/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,13H,7-10H2/p+1
InChIKeyXZBHDVNQGUSVID-UHFFFAOYSA-O
MW191.25 g/mol
LogP0.29
Rot. Bonds6

About cyanomethyl(2-phenylmethoxyethyl)azanium

cyanomethyl(2-phenylmethoxyethyl)azanium (PubChem CID 140671174) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is cyanomethyl(2-phenylmethoxyethyl)azanium.

Molecular Properties

Compound Namecyanomethyl(2-phenylmethoxyethyl)azanium
PubChem CID140671174
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Namecyanomethyl(2-phenylmethoxyethyl)azanium
SMILESN#CC[NH2+]CCOCc1ccccc1
InChIInChI=1S/C11H14N2O/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,13H,7-10H2/p+1
InChIKeyXZBHDVNQGUSVID-UHFFFAOYSA-O
XLogP0.29
TPSA49.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-phenylmethoxypropoxy)propanenitrile
CID 170395256
2-iodoethoxymethylbenzene
CID 10355314
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
CID 66734377
CID 66734377
3-(4-phenylmethoxybutylamino)propanenitrile
CID 130774544
3-oxo-6-phenylmethoxyhexanenitrile
CID 14769837
but-3-ynoxymethylbenzene
CID 11008213
2-phenylmethoxyethanamine;2-(2-phenylmethoxyethylamino)acetonitrile
CID 161095799
6-phenylmethoxyhexyl thiocyanate
CID 129069432
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
ethane;phenylmethoxymethylbenzene
CID 90943549
(3R)-3-methyl-4-phenylmethoxybutanenitrile
CID 69233531

Frequently Asked Questions

What is the IUPAC name of cyanomethyl(2-phenylmethoxyethyl)azanium?
The IUPAC name of cyanomethyl(2-phenylmethoxyethyl)azanium (CID 140671174) is cyanomethyl(2-phenylmethoxyethyl)azanium.
What is the SMILES notation for cyanomethyl(2-phenylmethoxyethyl)azanium?
The canonical SMILES for cyanomethyl(2-phenylmethoxyethyl)azanium is N#CC[NH2+]CCOCc1ccccc1.
What is the InChIKey of cyanomethyl(2-phenylmethoxyethyl)azanium?
The InChIKey is XZBHDVNQGUSVID-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H14N2O/c12-6-7-13-8-9-14-10-11-4-2-1-3-5-11/h1-5,13H,7-10H2/p+1.
What are the key properties of cyanomethyl(2-phenylmethoxyethyl)azanium?
cyanomethyl(2-phenylmethoxyethyl)azanium has a molecular weight of 191.25 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl(2-phenylmethoxyethyl)azanium is sourced from PubChem (CID 140671174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).