4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine

C15H23NO2 — CID 65175864

IUPAC4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCOCCCOc1cccc2c1CCC2NC
InChIInChI=1S/C15H23NO2/c1-3-17-10-5-11-18-15-7-4-6-12-13(15)8-9-14(12)16-2/h4,6-7,14,16H,3,5,8-11H2,1-2H3
InChIKeyKRQRBBADELDXAW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.70
Rot. Bonds7

About 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine

4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 65175864) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID65175864
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCCOCCCOc1cccc2c1CCC2NC
InChIInChI=1S/C15H23NO2/c1-3-17-10-5-11-18-15-7-4-6-12-13(15)8-9-14(12)16-2/h4,6-7,14,16H,3,5,8-11H2,1-2H3
InChIKeyKRQRBBADELDXAW-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

4-(2-methoxyethoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63090830
4-(2-ethoxyethoxy)-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 63091187
5-butoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 65455547
N-methyl-4-(2-phenoxyethoxy)-2,3-dihydro-1H-inden-1-amine
CID 63091176
2-methyl-4-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]butan-2-ol
CID 79360871
N-methyl-4-(3-methylbut-3-enoxy)-2,3-dihydro-1H-inden-1-amine
CID 114471642
N-methyl-4-[3-(oxolan-2-yl)propoxy]-2,3-dihydro-1H-inden-1-amine
CID 65158985
N-ethyl-3-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]propanamide
CID 63091539
4-[[5-(methylamino)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]butan-1-ol
CID 65456677
N-cyclopropyl-N-ethyl-2-[[1-(methylamino)-2,3-dihydro-1H-inden-4-yl]oxy]acetamide
CID 63091355
N-ethyl-4-(4-methoxybutoxy)-2,3-dihydro-1H-inden-1-amine
CID 104647071
4-[(3,5-dimethylphenyl)methoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 63089768

Frequently Asked Questions

What is the IUPAC name of 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 65175864) is 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine is CCOCCCOc1cccc2c1CCC2NC.
What is the InChIKey of 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is KRQRBBADELDXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-17-10-5-11-18-15-7-4-6-12-13(15)8-9-14(12)16-2/h4,6-7,14,16H,3,5,8-11H2,1-2H3.
What are the key properties of 4-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine?
4-(3-ethoxypropoxy)-N-methyl-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-(3-ethoxypropoxy)-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 65175864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).