(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine

C26H37NO6 — CID 126511580

IUPAC(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCOCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C26H37NO6/c27-26-24-9-5-4-8-23(24)20-25(26)33-19-18-31-15-14-29-11-10-28-12-13-30-16-17-32-21-22-6-2-1-3-7-22/h1-9,25-26H,10-21,27H2/t25-,26+/m1/s1
InChIKeyHXZPSNGMJRGDMA-FTJBHMTQSA-N
MW459.58 g/mol
LogP2.91
Rot. Bonds18

About (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine

(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 126511580) has the molecular formula C26H37NO6 and a molecular weight of 459.58 g/mol. Its IUPAC name is (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID126511580
Molecular FormulaC26H37NO6
Molecular Weight459.58 g/mol
Exact Mass459.26
IUPAC Name(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESN[C@H]1c2ccccc2C[C@H]1OCCOCCOCCOCCOCCOCc1ccccc1
InChIInChI=1S/C26H37NO6/c27-26-24-9-5-4-8-23(24)20-25(26)33-19-18-31-15-14-29-11-10-28-12-13-30-16-17-32-21-22-6-2-1-3-7-22/h1-9,25-26H,10-21,27H2/t25-,26+/m1/s1
InChIKeyHXZPSNGMJRGDMA-FTJBHMTQSA-N
XLogP2.91
TPSA81.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.58
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine (CID 126511580) is (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine is N[C@H]1c2ccccc2C[C@H]1OCCOCCOCCOCCOCCOCc1ccccc1.
What is the InChIKey of (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is HXZPSNGMJRGDMA-FTJBHMTQSA-N. The full InChI is InChI=1S/C26H37NO6/c27-26-24-9-5-4-8-23(24)20-25(26)33-19-18-31-15-14-29-11-10-28-12-13-30-16-17-32-21-22-6-2-1-3-7-22/h1-9,25-26H,10-21,27H2/t25-,26+/m1/s1.
What are the key properties of (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine?
(1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 459.58 g/mol, XLogP of 2.91, 18 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 126511580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).