(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine

C17H27NO4 — CID 2181813

IUPAC(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCOc1cccc(OC)c1OCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO4/c1-13-11-18(12-14(2)22-13)9-6-10-21-17-15(19-3)7-5-8-16(17)20-4/h5,7-8,13-14H,6,9-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyXEXFRABNVIMHEQ-KBPBESRZSA-N
MW309.41 g/mol
LogP2.58
Rot. Bonds7

About (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine

(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2181813) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2181813
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
SMILESCOc1cccc(OC)c1OCCCN1C[C@H](C)O[C@@H](C)C1
InChIInChI=1S/C17H27NO4/c1-13-11-18(12-14(2)22-13)9-6-10-21-17-15(19-3)7-5-8-16(17)20-4/h5,7-8,13-14H,6,9-12H2,1-4H3/t13-,14-/m0/s1
InChIKeyXEXFRABNVIMHEQ-KBPBESRZSA-N
XLogP2.58
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
4-[3-(2,6-dimethylmorpholin-4-yl)propoxy]-3,5-dimethoxyaniline
CID 67274115
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
1-[3-(2,6-dimethoxyphenoxy)propyl]-4-methylpiperazine
CID 91276351
1-(2,6-dimethoxyphenoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 3530693
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine (CID 2181813) is (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine is COc1cccc(OC)c1OCCCN1C[C@H](C)O[C@@H](C)C1.
What is the InChIKey of (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is XEXFRABNVIMHEQ-KBPBESRZSA-N. The full InChI is InChI=1S/C17H27NO4/c1-13-11-18(12-14(2)22-13)9-6-10-21-17-15(19-3)7-5-8-16(17)20-4/h5,7-8,13-14H,6,9-12H2,1-4H3/t13-,14-/m0/s1.
What are the key properties of (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 309.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2181813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).