(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

C₁₈H₂₁FN₂ — CID 81351126

About (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine

(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (PubChem CID 81351126) has the molecular formula C₁₈H₂₁FN₂ and a molecular weight of 284.38 g/mol. Its IUPAC name is (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
• PubChem CID: 81351126
• Molecular Formula: C₁₈H₂₁FN₂
• Molecular Weight: 284.38 g/mol
• Exact Mass: 284.17
• IUPAC Name: (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine
• SMILES: C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(F)cc1
• InChI: InChI=1S/C18H21FN2/c1-13(15-4-6-17(19)7-5-15)20-12-14-3-8-18-16(11-14)9-10-21(18)2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1
• InChIKey: KXLCMEZDORZDRV-ZDUSSCGKSA-N
• XLogP: 3.67
• TPSA: 15.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	284.38
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?

The IUPAC name of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine (CID 81351126) is (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine.

What is the SMILES notation for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?

The canonical SMILES for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is C[C@H](NCc1ccc2c(c1)CCN2C)c1ccc(F)cc1.

What is the InChIKey of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?

The InChIKey is KXLCMEZDORZDRV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21FN2/c1-13(15-4-6-17(19)7-5-15)20-12-14-3-8-18-16(11-14)9-10-21(18)2/h3-8,11,13,20H,9-10,12H2,1-2H3/t13-/m0/s1.

What are the key properties of (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine?

(1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-1-(4-fluorophenyl)-N-[(1-methyl-2,3-dihydroindol-5-yl)methyl]ethanamine is sourced from PubChem (CID 81351126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 81351126 — identifiers, structure, computed properties (public domain)

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