methyl(phenyl)azanium

C7H10N+ — CID 3494562

IUPACmethyl(phenyl)azanium
SMILESC[NH2+]c1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/p+1
InChIKeyAFBPFSWMIHJQDM-UHFFFAOYSA-O
MW108.16 g/mol
LogP0.51
Rot. Bonds1

About methyl(phenyl)azanium

methyl(phenyl)azanium (PubChem CID 3494562) has the molecular formula C7H10N+ and a molecular weight of 108.16 g/mol. Its IUPAC name is methyl(phenyl)azanium.

Molecular Properties

Compound Namemethyl(phenyl)azanium
PubChem CID3494562
Molecular FormulaC7H10N+
Molecular Weight108.16 g/mol
Exact Mass108.08
IUPAC Namemethyl(phenyl)azanium
SMILESC[NH2+]c1ccccc1
InChIInChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/p+1
InChIKeyAFBPFSWMIHJQDM-UHFFFAOYSA-O
XLogP0.51
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.16
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl(phenyl)azanium?
The IUPAC name of methyl(phenyl)azanium (CID 3494562) is methyl(phenyl)azanium.
What is the SMILES notation for methyl(phenyl)azanium?
The canonical SMILES for methyl(phenyl)azanium is C[NH2+]c1ccccc1.
What is the InChIKey of methyl(phenyl)azanium?
The InChIKey is AFBPFSWMIHJQDM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3/p+1.
What are the key properties of methyl(phenyl)azanium?
methyl(phenyl)azanium has a molecular weight of 108.16 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(phenyl)azanium is sourced from PubChem (CID 3494562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).