1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol

C19H25NO3 — CID 111382186

IUPAC1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCCC1COCCN1CC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3/c1-2-17-13-22-10-9-20(17)12-18(21)14-23-19-8-7-15-5-3-4-6-16(15)11-19/h3-8,11,17-18,21H,2,9-10,12-14H2,1H3
InChIKeyHXLIIWBBEPQSMM-UHFFFAOYSA-N
MW315.41 g/mol
LogP2.69
Rot. Bonds6

About 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol

1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol (PubChem CID 111382186) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
PubChem CID111382186
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol
SMILESCCC1COCCN1CC(O)COc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO3/c1-2-17-13-22-10-9-20(17)12-18(21)14-23-19-8-7-15-5-3-4-6-16(15)11-19/h3-8,11,17-18,21H,2,9-10,12-14H2,1H3
InChIKeyHXLIIWBBEPQSMM-UHFFFAOYSA-N
XLogP2.69
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(aminomethyl)phenoxy]-3-(3-ethylmorpholin-4-yl)propan-2-ol
CID 43611818
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
4-morpholin-4-yl-1-naphthalen-2-yloxybutan-2-ol
CID 86763298
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 110020401
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]piperazin-4-ium-1-yl]-morpholin-4-ylmethanone
CID 7126450
3-[2-hydroxy-3-(3-methylmorpholin-4-yl)propoxy]benzenecarbothioamide
CID 43542129
(2R)-1-(1,3-benzodioxol-5-yloxy)-3-[(2R)-2-ethylpiperidin-1-yl]propan-2-ol
CID 42223925
2-(3-ethylmorpholin-4-yl)-1-phenylethanamine
CID 43613110

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The IUPAC name of 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol (CID 111382186) is 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The canonical SMILES for 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol is CCC1COCCN1CC(O)COc1ccc2ccccc2c1.
What is the InChIKey of 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
The InChIKey is HXLIIWBBEPQSMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-2-17-13-22-10-9-20(17)12-18(21)14-23-19-8-7-15-5-3-4-6-16(15)11-19/h3-8,11,17-18,21H,2,9-10,12-14H2,1H3.
What are the key properties of 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol?
1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol has a molecular weight of 315.41 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylmorpholin-4-yl)-3-naphthalen-2-yloxypropan-2-ol is sourced from PubChem (CID 111382186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).