2-chloro-5-[(2-methylphenoxy)methyl]aniline

C₁₄H₁₄ClNO — CID 43349942

About 2-chloro-5-[(2-methylphenoxy)methyl]aniline

2-chloro-5-[(2-methylphenoxy)methyl]aniline (PubChem CID 43349942) has the molecular formula C₁₄H₁₄ClNO and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-chloro-5-[(2-methylphenoxy)methyl]aniline.

Molecular Properties

• Compound Name: 2-chloro-5-[(2-methylphenoxy)methyl]aniline
• PubChem CID: 43349942
• Molecular Formula: C₁₄H₁₄ClNO
• Molecular Weight: 247.73 g/mol
• Exact Mass: 247.08
• IUPAC Name: 2-chloro-5-[(2-methylphenoxy)methyl]aniline
• SMILES: Cc1ccccc1OCc1ccc(Cl)c(N)c1
• InChI: InChI=1S/C14H14ClNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)13(16)8-11/h2-8H,9,16H2,1H3
• InChIKey: QYSRUWLWAMPQBT-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 35.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	247.73
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-methylphenoxy)methyl]aniline?

The IUPAC name of 2-chloro-5-[(2-methylphenoxy)methyl]aniline (CID 43349942) is 2-chloro-5-[(2-methylphenoxy)methyl]aniline.

What is the SMILES notation for 2-chloro-5-[(2-methylphenoxy)methyl]aniline?

The canonical SMILES for 2-chloro-5-[(2-methylphenoxy)methyl]aniline is Cc1ccccc1OCc1ccc(Cl)c(N)c1.

What is the InChIKey of 2-chloro-5-[(2-methylphenoxy)methyl]aniline?

The InChIKey is QYSRUWLWAMPQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c1-10-4-2-3-5-14(10)17-9-11-6-7-12(15)13(16)8-11/h2-8H,9,16H2,1H3.

What are the key properties of 2-chloro-5-[(2-methylphenoxy)methyl]aniline?

2-chloro-5-[(2-methylphenoxy)methyl]aniline has a molecular weight of 247.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-5-[(2-methylphenoxy)methyl]aniline is sourced from PubChem (CID 43349942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 43349942 — identifiers, structure, computed properties (public domain)

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