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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Related Compounds

4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 55182395
4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 55182206
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
CID 114249414
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
(1R)-5-[2-[4-[2-[[(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethyl]phenyl]ethoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 162767640
4-[2-(2-hydroxyethoxy)ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 55179905
2-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-N-pentan-3-ylacetamide
CID 63089577
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
4-[(5-amino-5,6,7,8-tetrahydronaphthalen-1-yl)oxy]-2-methylbutan-2-ol
CID 79360240
5-(2-phenylethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454391

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).