1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

C18H27NO3 — CID 110888300

IUPAC1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCC1COCCN1CC(O)COC1CCCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-14-12-21-10-9-19(14)11-16(20)13-22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,14,16,18,20H,4,6,8-13H2,1H3
InChIKeyFYCQZLFSGXAPRE-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.16
Rot. Bonds5

About 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol

1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (PubChem CID 110888300) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
PubChem CID110888300
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
SMILESCC1COCCN1CC(O)COC1CCCc2ccccc21
InChIInChI=1S/C18H27NO3/c1-14-12-21-10-9-19(14)11-16(20)13-22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,14,16,18,20H,4,6,8-13H2,1H3
InChIKeyFYCQZLFSGXAPRE-UHFFFAOYSA-N
XLogP2.16
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-methylpiperazin-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 2121484
1-(4-propan-2-ylpiperazin-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110887836
(2S)-1-[(2S)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]pyrrolidine-2-carboxamide
CID 124784992
(2S)-1-[4-(2-methoxyethyl)piperazin-1-yl]-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95348112
1-benzhydryloxy-3-(3-methylmorpholin-4-yl)propan-2-ol
CID 110888215
1-(2-methylimidazol-1-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 75432626
(2R)-1-(3,5-dimethyl-1,2,4-triazol-1-yl)-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 97157254
1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 4555077
(2R)-1-methylsulfonyl-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 95173175
2-[1-[2-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propyl]piperidin-4-yl]acetamide
CID 110892663
1-[methyl(propyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 110909701
3-[(2R)-2-hydroxy-3-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 26012304

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The IUPAC name of 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol (CID 110888300) is 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol.
What is the SMILES notation for 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The canonical SMILES for 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is CC1COCCN1CC(O)COC1CCCc2ccccc21.
What is the InChIKey of 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
The InChIKey is FYCQZLFSGXAPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-14-12-21-10-9-19(14)11-16(20)13-22-18-8-4-6-15-5-2-3-7-17(15)18/h2-3,5,7,14,16,18,20H,4,6,8-13H2,1H3.
What are the key properties of 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol?
1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol has a molecular weight of 305.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylmorpholin-4-yl)-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol is sourced from PubChem (CID 110888300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).