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

C15H23NO2 — CID 55182395

IUPAC4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C15H23NO2/c1-2-3-9-17-10-11-18-15-6-4-5-12-13(15)7-8-14(12)16/h4-6,14H,2-3,7-11,16H2,1H3
InChIKeySOUUSYMCRXFAKG-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.83
Rot. Bonds7

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

4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine (PubChem CID 55182395) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
PubChem CID55182395
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine
SMILESCCCCOCCOc1cccc2c1CCC2N
InChIInChI=1S/C15H23NO2/c1-2-3-9-17-10-11-18-15-6-4-5-12-13(15)7-8-14(12)16/h4-6,14H,2-3,7-11,16H2,1H3
InChIKeySOUUSYMCRXFAKG-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 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 ≤ 52.83
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-propoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 106450266
4-[2-(3-methylbutoxy)ethoxy]-2,3-dihydro-1H-inden-1-amine
CID 55182206
5-(4-methoxybutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 113436812
5-[3-(2,2,2-trifluoroethoxy)propoxy]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65456111
1,2-bis[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]benzene
CID 118036044
1,2-bis[2-(2-butoxyethoxy)ethoxy]benzene
CID 12693817
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
5-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65454398
4-butyl-2,3-dihydro-1H-inden-1-amine
CID 103852528
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
1-[(1-amino-2,3-dihydro-1H-inden-4-yl)oxy]-3-methylbutan-2-ol
CID 114249414
4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 65175864

Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine (CID 55182395) is 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine is CCCCOCCOc1cccc2c1CCC2N.
What is the InChIKey of 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
The InChIKey is SOUUSYMCRXFAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-2-3-9-17-10-11-18-15-6-4-5-12-13(15)7-8-14(12)16/h4-6,14H,2-3,7-11,16H2,1H3.
What are the key properties of 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine?
4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine has a molecular weight of 249.35 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxyethoxy)-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 55182395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).