(E)-1-(3-phenylphenyl)pent-2-en-2-amine

C₁₇H₁₉N — CID 142087219

About (E)-1-(3-phenylphenyl)pent-2-en-2-amine

(E)-1-(3-phenylphenyl)pent-2-en-2-amine (PubChem CID 142087219) has the molecular formula C₁₇H₁₉N and a molecular weight of 237.35 g/mol. Its IUPAC name is (E)-1-(3-phenylphenyl)pent-2-en-2-amine.

Molecular Properties

• Compound Name: (E)-1-(3-phenylphenyl)pent-2-en-2-amine
• PubChem CID: 142087219
• Molecular Formula: C₁₇H₁₉N
• Molecular Weight: 237.35 g/mol
• Exact Mass: 237.15
• IUPAC Name: (E)-1-(3-phenylphenyl)pent-2-en-2-amine
• SMILES: CC/C=C(/N)Cc1cccc(-c2ccccc2)c1
• InChI: InChI=1S/C17H19N/c1-2-7-17(18)13-14-8-6-11-16(12-14)15-9-4-3-5-10-15/h3-12H,2,13,18H2,1H3/b17-7+
• InChIKey: XJTCYNKXUYCROJ-REZTVBANSA-N
• XLogP: 4.15
• TPSA: 26.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	237.35
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-phenylphenyl)pent-2-en-2-amine?

The IUPAC name of (E)-1-(3-phenylphenyl)pent-2-en-2-amine (CID 142087219) is (E)-1-(3-phenylphenyl)pent-2-en-2-amine.

What is the SMILES notation for (E)-1-(3-phenylphenyl)pent-2-en-2-amine?

The canonical SMILES for (E)-1-(3-phenylphenyl)pent-2-en-2-amine is CC/C=C(/N)Cc1cccc(-c2ccccc2)c1.

What is the InChIKey of (E)-1-(3-phenylphenyl)pent-2-en-2-amine?

The InChIKey is XJTCYNKXUYCROJ-REZTVBANSA-N. The full InChI is InChI=1S/C17H19N/c1-2-7-17(18)13-14-8-6-11-16(12-14)15-9-4-3-5-10-15/h3-12H,2,13,18H2,1H3/b17-7+.

What are the key properties of (E)-1-(3-phenylphenyl)pent-2-en-2-amine?

(E)-1-(3-phenylphenyl)pent-2-en-2-amine has a molecular weight of 237.35 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-1-(3-phenylphenyl)pent-2-en-2-amine is sourced from PubChem (CID 142087219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 142087219 — identifiers, structure, computed properties (public domain)

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