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

C14H21NO2 — CID 97034764

IUPACN-[2-[[(1R)-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-/m1/s1
InChIKeyNMEFOLROFOBJHF-CQSZACIVSA-N
MW235.33 g/mol
LogP1.93
Rot. Bonds7

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

N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine (PubChem CID 97034764) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
PubChem CID97034764
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[2-[[(1R)-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-/m1/s1
InChIKeyNMEFOLROFOBJHF-CQSZACIVSA-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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Related Compounds

N-[2-[[(1S)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine
CID 97034765
N-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethanamine;hydrochloride
CID 67867639
1-(2,3-dihydro-1H-inden-1-yloxymethoxy)-2,3-dihydro-1H-indene
CID 70037925
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)ethyl]butan-2-amine
CID 62571109
N-[2-(2,3-dihydro-1H-inden-1-yloxy)ethyl]-3-(5-fluoroindol-1-yl)oxypropan-1-amine
CID 91138781
N-(2-methoxyethyl)-N'-(1,2,3,4-tetrahydronaphthalen-2-ylmethyl)propane-1,3-diamine
CID 107126647
2-(2-methoxyethoxy)-N-[3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]acetamide
CID 95378094
N-(2-methylpropyl)-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pentan-1-amine
CID 62455421
1-(2-chloroethoxy)-1,2,3,4-tetrahydronaphthalene
CID 43135615
3-(2-cyclobutylphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 114606219
1-(2,3-dihydro-1H-inden-1-yl)-3-(2-methoxyethyl)-1-methylurea
CID 47236430
N-(2-cyclopentyloxyethyl)-2-methoxyethanamine
CID 62564778

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The IUPAC name of N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine (CID 97034764) is N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine.
What is the SMILES notation for N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The canonical SMILES for N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine is COCCNCCO[C@@H]1CCc2ccccc21.
What is the InChIKey of N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
The InChIKey is NMEFOLROFOBJHF-CQSZACIVSA-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-/m1/s1.
What are the key properties of N-[2-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine?
N-[2-[[(1R)-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-[[(1R)-2,3-dihydro-1H-inden-1-yl]oxy]ethyl]-2-methoxyethanamine is sourced from PubChem (CID 97034764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).