4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine

C15H23NO2 — CID 63091187

IUPAC4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCCOCC)cccc21
InChIInChI=1S/C15H23NO2/c1-3-16-14-9-8-13-12(14)6-5-7-15(13)18-11-10-17-4-2/h5-7,14,16H,3-4,8-11H2,1-2H3
InChIKeyBNFXEXOSVZLSMB-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds7

About 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine

4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 63091187) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
PubChem CID63091187
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
SMILESCCNC1CCc2c(OCCOCC)cccc21
InChIInChI=1S/C15H23NO2/c1-3-16-14-9-8-13-12(14)6-5-7-15(13)18-11-10-17-4-2/h5-7,14,16H,3-4,8-11H2,1-2H3
InChIKeyBNFXEXOSVZLSMB-UHFFFAOYSA-N
XLogP2.70
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.70
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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Related Compounds

N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864
N-ethyl-4-methoxy-2,3-dihydro-1H-inden-1-amine
CID 61383418
N-ethyl-5-pentoxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455939
N-ethyl-4-(2-methoxypropoxy)-2,3-dihydro-1H-inden-1-amine
CID 113382709
N-ethyl-4-(2-methylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091549
2-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxy]-N-(2-methoxyethyl)acetamide
CID 63091727
5-but-3-ynoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454800
2-[1-[[1-(ethylamino)-2,3-dihydro-1H-inden-4-yl]oxymethyl]cyclopropyl]acetonitrile
CID 65481907
4-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butanenitrile
CID 65454998
4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
4-(3,3-dimethylbutoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 63485329

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine (CID 63091187) is 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine is CCNC1CCc2c(OCCOCC)cccc21.
What is the InChIKey of 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is BNFXEXOSVZLSMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-16-14-9-8-13-12(14)6-5-7-15(13)18-11-10-17-4-2/h5-7,14,16H,3-4,8-11H2,1-2H3.
What are the key properties of 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine?
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 63091187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).