N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine

C₁₉H₂₅N — CID 79017859

About N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine

N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine (PubChem CID 79017859) has the molecular formula C₁₉H₂₅N and a molecular weight of 267.42 g/mol. Its IUPAC name is N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine.

Molecular Properties

• Compound Name: N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
• PubChem CID: 79017859
• Molecular Formula: C₁₉H₂₅N
• Molecular Weight: 267.42 g/mol
• Exact Mass: 267.20
• IUPAC Name: N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine
• SMILES: CC(C)Cc1ccc(CNCCc2ccccc2)cc1
• InChI: InChI=1S/C19H25N/c1-16(2)14-18-8-10-19(11-9-18)15-20-13-12-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3
• InChIKey: WRIKHPBZSGJMJR-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 12.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 7
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.42
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?

The IUPAC name of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine (CID 79017859) is N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine.

What is the SMILES notation for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?

The canonical SMILES for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine is CC(C)Cc1ccc(CNCCc2ccccc2)cc1.

What is the InChIKey of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?

The InChIKey is WRIKHPBZSGJMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N/c1-16(2)14-18-8-10-19(11-9-18)15-20-13-12-17-6-4-3-5-7-17/h3-11,16,20H,12-15H2,1-2H3.

What are the key properties of N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine?

N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine has a molecular weight of 267.42 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(2-methylpropyl)phenyl]methyl]-2-phenylethanamine is sourced from PubChem (CID 79017859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 79017859 — identifiers, structure, computed properties (public domain)

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