2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine

C17H27NO3 — CID 104560782

IUPAC2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1OCCOCCOC
InChIInChI=1S/C17H27NO3/c1-3-8-18-17-15-7-5-4-6-14(15)13-16(17)21-12-11-20-10-9-19-2/h4-7,16-18H,3,8-13H2,1-2H3
InChIKeyCLPHIDAEORTUFW-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.33
Rot. Bonds10

About 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine

2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 104560782) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
PubChem CID104560782
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
SMILESCCCNC1c2ccccc2CC1OCCOCCOC
InChIInChI=1S/C17H27NO3/c1-3-8-18-17-15-7-5-4-6-14(15)13-16(17)21-12-11-20-10-9-19-2/h4-7,16-18H,3,8-13H2,1-2H3
InChIKeyCLPHIDAEORTUFW-UHFFFAOYSA-N
XLogP2.33
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103401891
2-(cyclopentylmethoxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 66322610
2-(oxetan-3-yloxy)-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 102606043
(1S,2R)-1-methyl-2-[2-[2-[[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]oxy]ethoxy]ethoxy]-2,3-dihydro-1H-indene
CID 155763743
N-ethyl-6-(2-propoxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63686004
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 66418901
2-[3-(2-methoxyethoxy)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103410706
2-[2-(2-methoxyethoxy)ethoxy]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104560839
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-[4-(2-methoxyethoxy)butyl]-2,3-dihydro-1H-inden-2-amine
CID 115715426

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine (CID 104560782) is 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine is CCCNC1c2ccccc2CC1OCCOCCOC.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is CLPHIDAEORTUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-8-18-17-15-7-5-4-6-14(15)13-16(17)21-12-11-20-10-9-19-2/h4-7,16-18H,3,8-13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine?
2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 293.41 g/mol, XLogP of 2.33, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 104560782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).