2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine

C16H25NO2 — CID 82353891

IUPAC2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
SMILESCCNCCOCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2/c1-2-17-9-12-18-10-4-11-19-16-8-7-14-5-3-6-15(14)13-16/h7-8,13,17H,2-6,9-12H2,1H3
InChIKeyUQGWWSDRZGYLSQ-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.57
Rot. Bonds9

About 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine

2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine (PubChem CID 82353891) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
PubChem CID82353891
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine
SMILESCCNCCOCCCOc1ccc2c(c1)CCC2
InChIInChI=1S/C16H25NO2/c1-2-17-9-12-18-10-4-11-19-16-8-7-14-5-3-6-15(14)13-16/h7-8,13,17H,2-6,9-12H2,1H3
InChIKeyUQGWWSDRZGYLSQ-UHFFFAOYSA-N
XLogP2.57
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.57
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-(5,6,7,8-tetrahydronaphthalen-2-yloxy)butan-1-amine
CID 55075397
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]hexan-1-amine
CID 63516360
(2R)-1-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethylamino]propan-2-ol
CID 2232033
5-(2,3-dihydro-1H-inden-5-yloxy)-N-propylpentan-1-amine
CID 55077053
2-(2,3-dihydro-1H-inden-5-yloxy)-N-methylethanamine
CID 14809522
N-ethyl-2-[3-(4-methylphenoxy)propoxy]ethanamine
CID 82353114
N-tert-butyl-5-(2,3-dihydro-1H-inden-5-yloxy)pentan-1-amine
CID 62458571
N-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]cyclopropanamine
CID 29015190
4-(2,3-dihydro-1H-inden-5-yloxy)-N-propan-2-ylbutan-1-amine
CID 62460874
5-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]pentan-1-amine
CID 82353669
N-(3-ethoxypropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propan-1-amine
CID 62583134
3-(2,3-dihydro-1H-inden-5-yloxy)propyl-dimethylazanium
CID 7380399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine?
The IUPAC name of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine (CID 82353891) is 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine.
What is the SMILES notation for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine?
The canonical SMILES for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine is CCNCCOCCCOc1ccc2c(c1)CCC2.
What is the InChIKey of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine?
The InChIKey is UQGWWSDRZGYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-17-9-12-18-10-4-11-19-16-8-7-14-5-3-6-15(14)13-16/h7-8,13,17H,2-6,9-12H2,1H3.
What are the key properties of 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine?
2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine has a molecular weight of 263.38 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3-dihydro-1H-inden-5-yloxy)propoxy]-N-ethylethanamine is sourced from PubChem (CID 82353891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).