2-(methylaminomethyl)benzene-4-id-1-amine;yttrium

C8H11N2Y- — CID 59094562

IUPAC2-(methylaminomethyl)benzene-4-id-1-amine;yttrium
SMILESCNCc1c[c-]ccc1N.[Y]
InChIInChI=1S/C8H11N2.Y/c1-10-6-7-4-2-3-5-8(7)9;/h3-5,10H,6,9H2,1H3;/q-1;
InChIKeyRKMUPTQLOGUWIU-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.79
Rot. Bonds2

About 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium

2-(methylaminomethyl)benzene-4-id-1-amine;yttrium (PubChem CID 59094562) has the molecular formula C8H11N2Y- and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium.

Molecular Properties

Compound Name2-(methylaminomethyl)benzene-4-id-1-amine;yttrium
PubChem CID59094562
Molecular FormulaC8H11N2Y-
Molecular Weight224.10 g/mol
Exact Mass224.00
IUPAC Name2-(methylaminomethyl)benzene-4-id-1-amine;yttrium
SMILESCNCc1c[c-]ccc1N.[Y]
InChIInChI=1S/C8H11N2.Y/c1-10-6-7-4-2-3-5-8(7)9;/h3-5,10H,6,9H2,1H3;/q-1;
InChIKeyRKMUPTQLOGUWIU-UHFFFAOYSA-N
XLogP0.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium?
The IUPAC name of 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium (CID 59094562) is 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium.
What is the SMILES notation for 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium?
The canonical SMILES for 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium is CNCc1c[c-]ccc1N.[Y].
What is the InChIKey of 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium?
The InChIKey is RKMUPTQLOGUWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N2.Y/c1-10-6-7-4-2-3-5-8(7)9;/h3-5,10H,6,9H2,1H3;/q-1;.
What are the key properties of 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium?
2-(methylaminomethyl)benzene-4-id-1-amine;yttrium has a molecular weight of 224.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylaminomethyl)benzene-4-id-1-amine;yttrium is sourced from PubChem (CID 59094562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).