4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine

C₁₆H₂₆N₂O — CID 79121489

About 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine

4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine (PubChem CID 79121489) has the molecular formula C₁₆H₂₆N₂O and a molecular weight of 262.40 g/mol. Its IUPAC name is 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

• Compound Name: 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
• PubChem CID: 79121489
• Molecular Formula: C₁₆H₂₆N₂O
• Molecular Weight: 262.40 g/mol
• Exact Mass: 262.20
• IUPAC Name: 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine
• SMILES: Cc1ccccc1OCCN(C)C1CCC(N)CC1
• InChI: InChI=1S/C16H26N2O/c1-13-5-3-4-6-16(13)19-12-11-18(2)15-9-7-14(17)8-10-15/h3-6,14-15H,7-12,17H2,1-2H3
• InChIKey: WNDXWFGTBTWCCT-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.40
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?

The IUPAC name of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine (CID 79121489) is 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine.

What is the SMILES notation for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?

The canonical SMILES for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine is Cc1ccccc1OCCN(C)C1CCC(N)CC1.

What is the InChIKey of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?

The InChIKey is WNDXWFGTBTWCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-13-5-3-4-6-16(13)19-12-11-18(2)15-9-7-14(17)8-10-15/h3-6,14-15H,7-12,17H2,1-2H3.

What are the key properties of 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine?

4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-methyl-4-N-[2-(2-methylphenoxy)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79121489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79121489 — identifiers, structure, computed properties (public domain)

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