(2-aminophenyl)-methylazanium

C7H11N2+ — CID 24848187

IUPAC(2-aminophenyl)-methylazanium
SMILESC[NH2+]c1ccccc1N
InChIInChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1
InChIKeyRPKCLSMBVQLWIN-UHFFFAOYSA-O
MW123.18 g/mol
LogP0.09
Rot. Bonds1

About (2-aminophenyl)-methylazanium

(2-aminophenyl)-methylazanium (PubChem CID 24848187) has the molecular formula C7H11N2+ and a molecular weight of 123.18 g/mol. Its IUPAC name is (2-aminophenyl)-methylazanium.

Molecular Properties

Compound Name(2-aminophenyl)-methylazanium
PubChem CID24848187
Molecular FormulaC7H11N2+
Molecular Weight123.18 g/mol
Exact Mass123.09
IUPAC Name(2-aminophenyl)-methylazanium
SMILESC[NH2+]c1ccccc1N
InChIInChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1
InChIKeyRPKCLSMBVQLWIN-UHFFFAOYSA-O
XLogP0.09
TPSA42.63 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.18
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-aminophenyl)-methylazanium?
The IUPAC name of (2-aminophenyl)-methylazanium (CID 24848187) is (2-aminophenyl)-methylazanium.
What is the SMILES notation for (2-aminophenyl)-methylazanium?
The canonical SMILES for (2-aminophenyl)-methylazanium is C[NH2+]c1ccccc1N.
What is the InChIKey of (2-aminophenyl)-methylazanium?
The InChIKey is RPKCLSMBVQLWIN-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N2/c1-9-7-5-3-2-4-6(7)8/h2-5,9H,8H2,1H3/p+1.
What are the key properties of (2-aminophenyl)-methylazanium?
(2-aminophenyl)-methylazanium has a molecular weight of 123.18 g/mol, XLogP of 0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminophenyl)-methylazanium is sourced from PubChem (CID 24848187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).