1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride

C18H28ClNO3 — CID 2992912

IUPAC1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-14-12-19(13-15(2)22-14)10-6-7-11-21-18-9-5-4-8-17(18)16(3)20;/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;1H
InChIKeyYFZPTTCBUJZQGK-UHFFFAOYSA-N
MW341.88 g/mol
LogP3.58
Rot. Bonds7

About 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride

1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride (PubChem CID 2992912) has the molecular formula C18H28ClNO3 and a molecular weight of 341.88 g/mol. Its IUPAC name is 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
PubChem CID2992912
Molecular FormulaC18H28ClNO3
Molecular Weight341.88 g/mol
Exact Mass341.18
IUPAC Name1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1.Cl
InChIInChI=1S/C18H27NO3.ClH/c1-14-12-19(13-15(2)22-14)10-6-7-11-21-18-9-5-4-8-17(18)16(3)20;/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;1H
InChIKeyYFZPTTCBUJZQGK-UHFFFAOYSA-N
XLogP3.58
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.88
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethoxy]benzoic acid
CID 102933390

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride (CID 2992912) is 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride is CC(=O)c1ccccc1OCCCCN1CC(C)OC(C)C1.Cl.
What is the InChIKey of 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride?
The InChIKey is YFZPTTCBUJZQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3.ClH/c1-14-12-19(13-15(2)22-14)10-6-7-11-21-18-9-5-4-8-17(18)16(3)20;/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3;1H.
What are the key properties of 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride?
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride has a molecular weight of 341.88 g/mol, XLogP of 3.58, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride is sourced from PubChem (CID 2992912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).