[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine

C13H17NO2 — CID 83822108

IUPAC[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESNCC1CCc2cc(OC3COC3)ccc21
InChIInChI=1S/C13H17NO2/c14-6-10-2-1-9-5-11(3-4-13(9)10)16-12-7-15-8-12/h3-5,10,12H,1-2,6-8,14H2
InChIKeyYNQAKHLGGAEPAE-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.45
Rot. Bonds3

About [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine

[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine (PubChem CID 83822108) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine.

Molecular Properties

Compound Name[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine
PubChem CID83822108
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine
SMILESNCC1CCc2cc(OC3COC3)ccc21
InChIInChI=1S/C13H17NO2/c14-6-10-2-1-9-5-11(3-4-13(9)10)16-12-7-15-8-12/h3-5,10,12H,1-2,6-8,14H2
InChIKeyYNQAKHLGGAEPAE-UHFFFAOYSA-N
XLogP1.45
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;(6-propoxy-1,2,3,4-tetrahydronaphthalen-1-yl)methanamine
CID 144986736
2-[[5-(aminomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetamide
CID 14181183
2-(5-propan-2-yloxy-2,3-dihydro-1H-inden-1-yl)ethanamine
CID 83822187
O-[[3-(oxetan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117285119
6-(4-ethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64748271
ethane;4-(oxetan-3-yloxy)aniline
CID 169232472
3-(3-bromophenoxy)oxetane
CID 83487082
[(1R)-6-iodo-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 66651510
2-methyl-4-(oxetan-3-yloxy)benzenecarbothioamide
CID 102606351
2-ethoxy-4-(oxetan-3-yloxy)aniline
CID 102605509
2-methoxy-4-(oxetan-3-yloxy)aniline
CID 102605470
4-(oxetan-3-yloxy)benzenecarbothioamide
CID 115669739

Frequently Asked Questions

What is the IUPAC name of [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine?
The IUPAC name of [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine (CID 83822108) is [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine.
What is the SMILES notation for [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine?
The canonical SMILES for [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine is NCC1CCc2cc(OC3COC3)ccc21.
What is the InChIKey of [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine?
The InChIKey is YNQAKHLGGAEPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c14-6-10-2-1-9-5-11(3-4-13(9)10)16-12-7-15-8-12/h3-5,10,12H,1-2,6-8,14H2.
What are the key properties of [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine?
[5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine has a molecular weight of 219.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxetan-3-yloxy)-2,3-dihydro-1H-inden-1-yl]methanamine is sourced from PubChem (CID 83822108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).