3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol

C13H19NO3 — CID 82850996

IUPAC3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
SMILESNC1CCCc2cc(OCC(O)CO)ccc21
InChIInChI=1S/C13H19NO3/c14-13-3-1-2-9-6-11(4-5-12(9)13)17-8-10(16)7-15/h4-6,10,13,15-16H,1-3,7-8,14H2
InChIKeyMUDXOSHFJCNVJF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.75
Rot. Bonds4

About 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol

3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol (PubChem CID 82850996) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
PubChem CID82850996
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
SMILESNC1CCCc2cc(OCC(O)CO)ccc21
InChIInChI=1S/C13H19NO3/c14-13-3-1-2-9-6-11(4-5-12(9)13)17-8-10(16)7-15/h4-6,10,13,15-16H,1-3,7-8,14H2
InChIKeyMUDXOSHFJCNVJF-UHFFFAOYSA-N
XLogP0.75
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
CID 82849320
3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 114091354
6-(2-fluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 80698721
2-[(8-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]ethanol
CID 103719192
(1R)-7-(2-ethylbutoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091177
(1S)-5-(2,4-dimethylpentoxy)-2,3-dihydro-1H-inden-1-amine
CID 114200067
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
(1S)-5-ethoxy-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 70817218
(1R)-7-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 114091185
2-[(1-amino-2,3-dihydro-1H-inden-5-yl)oxy]-N-propan-2-ylacetamide
CID 107682990
6-(4-ethylcyclohexyl)oxy-1,2,3,4-tetrahydronaphthalen-1-amine
CID 64748271
3-ethoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62737273

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The IUPAC name of 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol (CID 82850996) is 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol.
What is the SMILES notation for 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The canonical SMILES for 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol is NC1CCCc2cc(OCC(O)CO)ccc21.
What is the InChIKey of 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
The InChIKey is MUDXOSHFJCNVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c14-13-3-1-2-9-6-11(4-5-12(9)13)17-8-10(16)7-15/h4-6,10,13,15-16H,1-3,7-8,14H2.
What are the key properties of 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol?
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol has a molecular weight of 237.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol is sourced from PubChem (CID 82850996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).