N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

C₁₁H₁₇Cl₂NO₂ — CID 132843684

About N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride

N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (PubChem CID 132843684) has the molecular formula C₁₁H₁₇Cl₂NO₂ and a molecular weight of 266.17 g/mol. Its IUPAC name is N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

Molecular Properties

• Compound Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
• PubChem CID: 132843684
• Molecular Formula: C₁₁H₁₇Cl₂NO₂
• Molecular Weight: 266.17 g/mol
• Exact Mass: 265.06
• IUPAC Name: N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride
• SMILES: COCCNCc1ccc(OC)c(Cl)c1.Cl
• InChI: InChI=1S/C11H16ClNO2.ClH/c1-14-6-5-13-8-9-3-4-11(15-2)10(12)7-9;/h3-4,7,13H,5-6,8H2,1-2H3;1H
• InChIKey: JZKCKNSLQZHBRB-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.17
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?

The IUPAC name of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride (CID 132843684) is N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride.

What is the SMILES notation for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?

The canonical SMILES for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is COCCNCc1ccc(OC)c(Cl)c1.Cl.

What is the InChIKey of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?

The InChIKey is JZKCKNSLQZHBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2.ClH/c1-14-6-5-13-8-9-3-4-11(15-2)10(12)7-9;/h3-4,7,13H,5-6,8H2,1-2H3;1H.

What are the key properties of N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride?

N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride has a molecular weight of 266.17 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyethanamine;hydrochloride is sourced from PubChem (CID 132843684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 132843684 — identifiers, structure, computed properties (public domain)

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