2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine

C16H25NO3 — CID 103401891

IUPAC2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OCCCOCCOC
InChIInChI=1S/C16H25NO3/c1-17-16-14-7-4-3-6-13(14)12-15(16)20-9-5-8-19-11-10-18-2/h3-4,6-7,15-17H,5,8-12H2,1-2H3
InChIKeyDDQBAJLSQIRQBH-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.94
Rot. Bonds9

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

2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 103401891) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound Name2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
PubChem CID103401891
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine
SMILESCNC1c2ccccc2CC1OCCCOCCOC
InChIInChI=1S/C16H25NO3/c1-17-16-14-7-4-3-6-13(14)12-15(16)20-9-5-8-19-11-10-18-2/h3-4,6-7,15-17H,5,8-12H2,1-2H3
InChIKeyDDQBAJLSQIRQBH-UHFFFAOYSA-N
XLogP1.94
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.94
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-[3-(2-methoxyethoxy)propyl]-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 103410706
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2,3-dihydro-1H-inden-1-ol
CID 104564613
2-[2-(2-methoxyethoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 104560782
2-[2-(2-methoxyethoxy)ethoxy]-N,4-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 104560839
(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-methyl-2-(4,4,4-trifluorobutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 82788201
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
N-[3-(2-methoxyethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
CID 43512948
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(2-methoxyethoxy)ethanamine
CID 66418901
2-[2-(2-methylpropoxy)ethoxy]-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 106447311
6-(2-cyclopropylethoxy)-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106200554

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine (CID 103401891) is 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is CNC1c2ccccc2CC1OCCCOCCOC.
What is the InChIKey of 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
The InChIKey is DDQBAJLSQIRQBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-17-16-14-7-4-3-6-13(14)12-15(16)20-9-5-8-19-11-10-18-2/h3-4,6-7,15-17H,5,8-12H2,1-2H3.
What are the key properties of 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine?
2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 279.38 g/mol, XLogP of 1.94, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxyethoxy)propoxy]-N-methyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 103401891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).