4-ethyl-3-methylbenzene-6-id-1-amine;yttrium

C9H12NY- — CID 58903074

IUPAC4-ethyl-3-methylbenzene-6-id-1-amine;yttrium
SMILESCCc1c[c-]c(N)cc1C.[Y]
InChIInChI=1S/C9H12N.Y/c1-3-8-4-5-9(10)6-7(8)2;/h4,6H,3,10H2,1-2H3;/q-1;
InChIKeyDQUSKZGGXZQDFZ-UHFFFAOYSA-N
MW223.11 g/mol
LogP1.94
Rot. Bonds1

About 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium

4-ethyl-3-methylbenzene-6-id-1-amine;yttrium (PubChem CID 58903074) has the molecular formula C9H12NY- and a molecular weight of 223.11 g/mol. Its IUPAC name is 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium.

Molecular Properties

Compound Name4-ethyl-3-methylbenzene-6-id-1-amine;yttrium
PubChem CID58903074
Molecular FormulaC9H12NY-
Molecular Weight223.11 g/mol
Exact Mass223.00
IUPAC Name4-ethyl-3-methylbenzene-6-id-1-amine;yttrium
SMILESCCc1c[c-]c(N)cc1C.[Y]
InChIInChI=1S/C9H12N.Y/c1-3-8-4-5-9(10)6-7(8)2;/h4,6H,3,10H2,1-2H3;/q-1;
InChIKeyDQUSKZGGXZQDFZ-UHFFFAOYSA-N
XLogP1.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.11
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium?
The IUPAC name of 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium (CID 58903074) is 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium.
What is the SMILES notation for 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium?
The canonical SMILES for 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium is CCc1c[c-]c(N)cc1C.[Y].
What is the InChIKey of 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium?
The InChIKey is DQUSKZGGXZQDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Y/c1-3-8-4-5-9(10)6-7(8)2;/h4,6H,3,10H2,1-2H3;/q-1;.
What are the key properties of 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium?
4-ethyl-3-methylbenzene-6-id-1-amine;yttrium has a molecular weight of 223.11 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-methylbenzene-6-id-1-amine;yttrium is sourced from PubChem (CID 58903074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).