N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine

C14H21NO2 — CID 97034765

IUPACN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCO[C@H]1CCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-16-10-8-15-9-11-17-14-7-6-12-4-2-3-5-13(12)14/h2-5,14-15H,6-11H2,1H3/t14-/m0/s1
InChIKeyNMEFOLROFOBJHF-AWEZNQCLSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds7

About N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine

N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine (PubChem CID 97034765) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
PubChem CID97034765
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
SMILESCOCCNCCO[C@H]1CCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-16-10-8-15-9-11-17-14-7-6-12-4-2-3-5-13(12)14/h2-5,14-15H,6-11H2,1H3/t14-/m0/s1
InChIKeyNMEFOLROFOBJHF-AWEZNQCLSA-N
XLogP1.93
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.93
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine (CID 97034765) is N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine is COCCNCCO[C@H]1CCc2ccccc21.
What is the InChIKey of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The InChIKey is NMEFOLROFOBJHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21NO2/c1-16-10-8-15-9-11-17-14-7-6-12-4-2-3-5-13(12)14/h2-5,14-15H,6-11H2,1H3/t14-/m0/s1.
What are the key properties of N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 97034765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).