4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride

C18H28ClNO2 — CID 2993601

IUPAC4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCOc2ccc3c(c2)CCC3)CC(C)O1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-14-12-19(13-15(2)21-14)9-4-10-20-18-8-7-16-5-3-6-17(16)11-18;/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyIDCWCVLXRNNEJN-UHFFFAOYSA-N
MW325.88 g/mol
LogP3.48
Rot. Bonds5

About 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride

4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride (PubChem CID 2993601) has the molecular formula C18H28ClNO2 and a molecular weight of 325.88 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
PubChem CID2993601
Molecular FormulaC18H28ClNO2
Molecular Weight325.88 g/mol
Exact Mass325.18
IUPAC Name4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride
SMILESCC1CN(CCCOc2ccc3c(c2)CCC3)CC(C)O1.Cl
InChIInChI=1S/C18H27NO2.ClH/c1-14-12-19(13-15(2)21-14)9-4-10-20-18-8-7-16-5-3-6-17(16)11-18;/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3;1H
InChIKeyIDCWCVLXRNNEJN-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939
(2R,6R)-4-[4-(3,4-dimethylphenoxy)butyl]-2,6-dimethylmorpholine
CID 2184552
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
4-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7380226
1-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-4-(4-methoxyphenyl)piperazine;hydrochloride
CID 45260980
(2S,6S)-4-[4-(4-iodophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182517
1-[4-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]phenyl]ethanone
CID 7380535
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
(2S,6R)-2,6-dimethyl-4-[4-(4-propan-2-ylphenoxy)butyl]morpholine
CID 2182392
2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
CID 2995034

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride?
The IUPAC name of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride (CID 2993601) is 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride?
The canonical SMILES for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride is CC1CN(CCCOc2ccc3c(c2)CCC3)CC(C)O1.Cl.
What is the InChIKey of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride?
The InChIKey is IDCWCVLXRNNEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2.ClH/c1-14-12-19(13-15(2)21-14)9-4-10-20-18-8-7-16-5-3-6-17(16)11-18;/h7-8,11,14-15H,3-6,9-10,12-13H2,1-2H3;1H.
What are the key properties of 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride?
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride has a molecular weight of 325.88 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine;hydrochloride is sourced from PubChem (CID 2993601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).