4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine

C14H21NO2 — CID 106450266

IUPAC4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C14H21NO2/c1-2-8-16-9-10-17-14-5-3-4-11-12(14)6-7-13(11)15/h3-5,13H,2,6-10,15H2,1H3
InChIKeyDIZZMHFQXYMWIA-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds6

About 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine

4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 106450266) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID106450266
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C14H21NO2/c1-2-8-16-9-10-17-14-5-3-4-11-12(14)6-7-13(11)15/h3-5,13H,2,6-10,15H2,1H3
InChIKeyDIZZMHFQXYMWIA-UHFFFAOYSA-N
XLogP2.44
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
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-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine (CID 106450266) is 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine is CCCOCCOc1cccc2c1CCC2N.
What is the InChIKey of 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DIZZMHFQXYMWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-8-16-9-10-17-14-5-3-4-11-12(14)6-7-13(11)15/h3-5,13H,2,6-10,15H2,1H3.
What are the key properties of 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 106450266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).