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

C15H23NO3 — CID 82849320

IUPAC3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
SMILESCCNC1CCCc2cc(OCC(O)CO)ccc21
InChIInChI=1S/C15H23NO3/c1-2-16-15-5-3-4-11-8-13(6-7-14(11)15)19-10-12(18)9-17/h6-8,12,15-18H,2-5,9-10H2,1H3
InChIKeyOEAMSSJHPNQYEH-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.41
Rot. Bonds6

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

3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol (PubChem CID 82849320) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
PubChem CID82849320
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol
SMILESCCNC1CCCc2cc(OCC(O)CO)ccc21
InChIInChI=1S/C15H23NO3/c1-2-16-15-5-3-4-11-8-13(6-7-14(11)15)19-10-12(18)9-17/h6-8,12,15-18H,2-5,9-10H2,1H3
InChIKeyOEAMSSJHPNQYEH-UHFFFAOYSA-N
XLogP1.41
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(ethylamino)-2,3-dihydro-1H-inden-5-yl]oxy]-3-methoxypropan-2-ol
CID 107683826
3-[(5-amino-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 82850996
6-but-2-enoxy-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 76919283
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]-N-methylpropanamide
CID 62324931
3-[(8-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)oxy]propane-1,2-diol
CID 114091354
6-[(5-chlorothiophen-2-yl)methoxy]-N-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 63499948
1-cyclopropyl-2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 55172738
(2R)-1-naphthalen-2-yloxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-ol
CID 2520495
2-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]ethanol
CID 3016750
3-[(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 43206577
5-(2-hydroxybutoxy)-2,3-dihydro-1H-inden-1-ol
CID 107684878
5-but-2-ynoxy-N-ethyl-2,3-dihydro-1H-inden-1-amine
CID 107683611

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol?
The IUPAC name of 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol (CID 82849320) is 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol.
What is the SMILES notation for 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol?
The canonical SMILES for 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol is CCNC1CCCc2cc(OCC(O)CO)ccc21.
What is the InChIKey of 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol?
The InChIKey is OEAMSSJHPNQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-16-15-5-3-4-11-8-13(6-7-14(11)15)19-10-12(18)9-17/h6-8,12,15-18H,2-5,9-10H2,1H3.
What are the key properties of 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol?
3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 1.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]propane-1,2-diol is sourced from PubChem (CID 82849320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).