(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine

C19H29NO3 — CID 2184926

IUPAC(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESC=CCc1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-7-17-8-9-18(19(12-17)21-4)22-11-6-10-20-13-15(2)23-16(3)14-20/h5,8-9,12,15-16H,1,6-7,10-11,13-14H2,2-4H3/t15-,16-/m0/s1
InChIKeyHSLHUZWYQFMWTG-HOTGVXAUSA-N
MW319.45 g/mol
LogP3.30
Rot. Bonds8

About (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine

(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine (PubChem CID 2184926) has the molecular formula C19H29NO3 and a molecular weight of 319.45 g/mol. Its IUPAC name is (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
PubChem CID2184926
Molecular FormulaC19H29NO3
Molecular Weight319.45 g/mol
Exact Mass319.21
IUPAC Name(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
SMILESC=CCc1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1
InChIInChI=1S/C19H29NO3/c1-5-7-17-8-9-18(19(12-17)21-4)22-11-6-10-20-13-15(2)23-16(3)14-20/h5,8-9,12,15-16H,1,6-7,10-11,13-14H2,2-4H3/t15-,16-/m0/s1
InChIKeyHSLHUZWYQFMWTG-HOTGVXAUSA-N
XLogP3.30
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,6R)-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 888280
(3R,5R)-1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]-3,5-dimethylpiperidine
CID 7413062
(3S)-1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-3-methylpiperidine
CID 2182848
2-methoxy-1-[6-(2-methoxy-4-prop-2-enylphenoxy)hexoxy]-4-prop-2-enylbenzene
CID 19906474
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
1-butoxy-2-methoxy-4-prop-2-enylbenzene
CID 3019586
(2S,6R)-4-[2-(2-methoxy-4-methylphenoxy)ethyl]-2,6-dimethylmorpholine
CID 887366
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2-methoxy-1-pentoxy-4-prop-2-enylbenzene
CID 3024287
2-methoxy-1-[3-(2-methoxy-4-methylphenoxy)propoxy]-4-prop-2-enylbenzene
CID 2283169
(2R,6R)-4-[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethyl]-2,6-dimethylmorpholine
CID 7413033
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine?
The IUPAC name of (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine (CID 2184926) is (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine is C=CCc1ccc(OCCCN2C[C@H](C)O[C@@H](C)C2)c(OC)c1.
What is the InChIKey of (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine?
The InChIKey is HSLHUZWYQFMWTG-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H29NO3/c1-5-7-17-8-9-18(19(12-17)21-4)22-11-6-10-20-13-15(2)23-16(3)14-20/h5,8-9,12,15-16H,1,6-7,10-11,13-14H2,2-4H3/t15-,16-/m0/s1.
What are the key properties of (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine?
(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine has a molecular weight of 319.45 g/mol, XLogP of 3.30, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2184926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).