(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium

C18H30NO3+ — CID 2183448

IUPAC(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
SMILESCCOc1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H29NO3/c1-4-20-17-9-5-6-10-18(17)21-12-8-7-11-19-13-15(2)22-16(3)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/p+1/t15-,16+
InChIKeyKHMIEYFZCOFTEM-IYBDPMFKSA-O
MW308.44 g/mol
LogP1.94
Rot. Bonds8

About (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium

(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium (PubChem CID 2183448) has the molecular formula C18H30NO3+ and a molecular weight of 308.44 g/mol. Its IUPAC name is (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium.

Molecular Properties

Compound Name(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
PubChem CID2183448
Molecular FormulaC18H30NO3+
Molecular Weight308.44 g/mol
Exact Mass308.22
IUPAC Name(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium
SMILESCCOc1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H29NO3/c1-4-20-17-9-5-6-10-18(17)21-12-8-7-11-19-13-15(2)22-16(3)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/p+1/t15-,16+
InChIKeyKHMIEYFZCOFTEM-IYBDPMFKSA-O
XLogP1.94
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.44
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]phenyl]propan-1-one
CID 7380348
(2S,6R)-2,6-dimethyl-4-[4-(2-prop-2-enylphenoxy)butyl]morpholin-4-ium
CID 2183046
1-[2-[3-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propoxy]phenyl]ethanone
CID 7380245
(2R,6S)-4-[4-(4-fluorophenoxy)butyl]-2,6-dimethylmorpholin-4-ium
CID 2184520
(2R,6R)-2,6-dimethyl-4-(4-naphthalen-2-yloxybutyl)morpholin-4-ium
CID 2184565
(2R,6S)-4-[3-(4-chloronaphthalen-1-yl)oxypropyl]-2,6-dimethylmorpholin-4-ium
CID 2183058
(2S,6S)-2,6-dimethyl-4-[2-(2-phenylphenoxy)ethyl]morpholin-4-ium
CID 7411249
2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]benzonitrile
CID 7393960
1-[2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]ethoxy]phenyl]propan-1-one
CID 7394000
(2R,6R)-2,6-dimethyl-4-[4-[4-(2-phenylpropan-2-yl)phenoxy]butyl]morpholin-4-ium
CID 7410765
1-[4-[4-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]butoxy]-3-methoxyphenyl]ethanone
CID 7380370

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The IUPAC name of (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium (CID 2183448) is (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium.
What is the SMILES notation for (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The canonical SMILES for (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium is CCOc1ccccc1OCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
The InChIKey is KHMIEYFZCOFTEM-IYBDPMFKSA-O. The full InChI is InChI=1S/C18H29NO3/c1-4-20-17-9-5-6-10-18(17)21-12-8-7-11-19-13-15(2)22-16(3)14-19/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3/p+1/t15-,16+.
What are the key properties of (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium?
(2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium has a molecular weight of 308.44 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[4-(2-ethoxyphenoxy)butyl]-2,6-dimethylmorpholin-4-ium is sourced from PubChem (CID 2183448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).