(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol

C19H32NO4+ — CID 7165345

IUPAC(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol
SMILESCCc1ccc(OCCOC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H31NO4/c1-4-17-5-7-19(8-6-17)23-10-9-22-14-18(21)13-20-11-15(2)24-16(3)12-20/h5-8,15-16,18,21H,4,9-14H2,1-3H3/p+1/t15-,16-,18-/m1/s1
InChIKeyTWVPOEPZKSZYBN-JFIYKMOQSA-O
MW338.47 g/mol
LogP0.70
Rot. Bonds9

About (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol

(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol (PubChem CID 7165345) has the molecular formula C19H32NO4+ and a molecular weight of 338.47 g/mol. Its IUPAC name is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol
PubChem CID7165345
Molecular FormulaC19H32NO4+
Molecular Weight338.47 g/mol
Exact Mass338.23
IUPAC Name(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol
SMILESCCc1ccc(OCCOC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1
InChIInChI=1S/C19H31NO4/c1-4-17-5-7-19(8-6-17)23-10-9-22-14-18(21)13-20-11-15(2)24-16(3)12-20/h5-8,15-16,18,21H,4,9-14H2,1-3H3/p+1/t15-,16-,18-/m1/s1
InChIKeyTWVPOEPZKSZYBN-JFIYKMOQSA-O
XLogP0.70
TPSA52.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

(2R)-1-[2-(4-ethylphenoxy)ethoxy]-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propan-2-ol
CID 7165333
1-[4-[(2S)-3-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7099223
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(3,4-dimethylphenoxy)propan-2-ol
CID 7428257
1-(2,6-dimethylmorpholin-4-ium-4-yl)-3-naphthalen-2-yloxypropan-2-ol
CID 4137273
(2R)-1-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-3-(3,5-dimethylphenoxy)propan-2-ol
CID 6937831
(2R)-1-(cyclopentylamino)-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol;hydrochloride
CID 70674125
(2S)-1-(1,3-benzodioxol-5-ylmethoxy)-3-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]propan-2-ol
CID 7482031
(2R)-1-(4-ethylphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 7058452
1-[2-(4-ethylphenoxy)ethoxy]-3-(propan-2-ylamino)propan-2-ol
CID 4106588
(2S)-1-[2-(4-chlorophenoxy)ethoxy]-3-[4-[(4-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propan-2-ol
CID 9498873
1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
(2R)-1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-ethylpiperazine-1,4-diium-1-yl)propan-2-ol
CID 7165481

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol?
The IUPAC name of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol (CID 7165345) is (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol.
What is the SMILES notation for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol?
The canonical SMILES for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol is CCc1ccc(OCCOC[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1.
What is the InChIKey of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol?
The InChIKey is TWVPOEPZKSZYBN-JFIYKMOQSA-O. The full InChI is InChI=1S/C19H31NO4/c1-4-17-5-7-19(8-6-17)23-10-9-22-14-18(21)13-20-11-15(2)24-16(3)12-20/h5-8,15-16,18,21H,4,9-14H2,1-3H3/p+1/t15-,16-,18-/m1/s1.
What are the key properties of (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol?
(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol has a molecular weight of 338.47 g/mol, XLogP of 0.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-3-[2-(4-ethylphenoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 7165345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).