[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine

C₁₇H₂₁BrN₂ — CID 145124242

About [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine

[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine (PubChem CID 145124242) has the molecular formula C₁₇H₂₁BrN₂ and a molecular weight of 333.27 g/mol. Its IUPAC name is [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
• PubChem CID: 145124242
• Molecular Formula: C₁₇H₂₁BrN₂
• Molecular Weight: 333.27 g/mol
• Exact Mass: 332.09
• IUPAC Name: [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine
• SMILES: CCc1cccc(CN)c1-c1cc(CBr)ccc1CN
• InChI: InChI=1S/C17H21BrN2/c1-2-13-4-3-5-15(11-20)17(13)16-8-12(9-18)6-7-14(16)10-19/h3-8H,2,9-11,19-20H2,1H3
• InChIKey: BCHZGOVYKXGEMA-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 52.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	333.27
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?

The IUPAC name of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine (CID 145124242) is [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine.

What is the SMILES notation for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?

The canonical SMILES for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine is CCc1cccc(CN)c1-c1cc(CBr)ccc1CN.

What is the InChIKey of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?

The InChIKey is BCHZGOVYKXGEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2/c1-2-13-4-3-5-15(11-20)17(13)16-8-12(9-18)6-7-14(16)10-19/h3-8H,2,9-11,19-20H2,1H3.

What are the key properties of [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine?

[2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine has a molecular weight of 333.27 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-(aminomethyl)-6-ethylphenyl]-4-(bromomethyl)phenyl]methanamine is sourced from PubChem (CID 145124242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 145124242 — identifiers, structure, computed properties (public domain)

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