[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol

C₁₆H₂₆N₂O — CID 61049623

About [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol (PubChem CID 61049623) has the molecular formula C₁₆H₂₆N₂O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol.

Molecular Properties

• Compound Name: [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
• PubChem CID: 61049623
• Molecular Formula: C₁₆H₂₆N₂O
• Molecular Weight: 262.40 g/mol
• Exact Mass: 262.20
• IUPAC Name: [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol
• SMILES: CCN(CC)CCNC1(CO)CCc2ccccc21
• InChI: InChI=1S/C16H26N2O/c1-3-18(4-2)12-11-17-16(13-19)10-9-14-7-5-6-8-15(14)16/h5-8,17,19H,3-4,9-13H2,1-2H3
• InChIKey: FPAHHUYXFRSMQL-UHFFFAOYSA-N
• XLogP: 1.75
• TPSA: 35.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.40
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?

The IUPAC name of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol (CID 61049623) is [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol.

What is the SMILES notation for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?

The canonical SMILES for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol is CCN(CC)CCNC1(CO)CCc2ccccc21.

What is the InChIKey of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?

The InChIKey is FPAHHUYXFRSMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(4-2)12-11-17-16(13-19)10-9-14-7-5-6-8-15(14)16/h5-8,17,19H,3-4,9-13H2,1-2H3.

What are the key properties of [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol?

[1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[2-(diethylamino)ethylamino]-2,3-dihydroinden-1-yl]methanol is sourced from PubChem (CID 61049623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 61049623 — identifiers, structure, computed properties (public domain)

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