4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine

C16H25NO2 — CID 55182206

IUPAC4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C16H25NO2/c1-12(2)8-9-18-10-11-19-16-5-3-4-13-14(16)6-7-15(13)17/h3-5,12,15H,6-11,17H2,1-2H3
InChIKeyRUTHUKAHROAGSN-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.07
Rot. Bonds7

About 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine

4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine (PubChem CID 55182206) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
PubChem CID55182206
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
SMILESCC(C)CCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C16H25NO2/c1-12(2)8-9-18-10-11-19-16-5-3-4-13-14(16)6-7-15(13)17/h3-5,12,15H,6-11,17H2,1-2H3
InChIKeyRUTHUKAHROAGSN-UHFFFAOYSA-N
XLogP3.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine (CID 55182206) is 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine is CC(C)CCOCCOc1cccc2c1CCC2N.
What is the InChIKey of 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine?
The InChIKey is RUTHUKAHROAGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)8-9-18-10-11-19-16-5-3-4-13-14(16)6-7-15(13)17/h3-5,12,15H,6-11,17H2,1-2H3.
What are the key properties of 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine?
4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55182206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).