(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine

C18H27NO3 — CID 7379543

IUPAC(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
SMILESC=CCOc1ccccc1OCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H27NO3/c1-4-11-20-17-8-5-6-9-18(17)21-12-7-10-19-13-15(2)22-16(3)14-19/h4-6,8-9,15-16H,1,7,10-14H2,2-3H3/t15-,16+
InChIKeyFGIOIGOZSVBXRB-IYBDPMFKSA-N
MW305.42 g/mol
LogP3.13
Rot. Bonds8

About (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine

(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine (PubChem CID 7379543) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
PubChem CID7379543
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
SMILESC=CCOc1ccccc1OCCCN1C[C@@H](C)O[C@@H](C)C1
InChIInChI=1S/C18H27NO3/c1-4-11-20-17-8-5-6-9-18(17)21-12-7-10-19-13-15(2)22-16(3)14-19/h4-6,8-9,15-16H,1,7,10-14H2,2-3H3/t15-,16+
InChIKeyFGIOIGOZSVBXRB-IYBDPMFKSA-N
XLogP3.13
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.13
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

2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 2995550
(2R,6R)-2,6-dimethyl-4-[2-(2-prop-2-enoxyphenoxy)ethyl]morpholine
CID 7379931
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
(2R,6R)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394194
(2S,6S)-2,6-dimethyl-4-[2-(2-propoxyphenoxy)ethyl]morpholine
CID 7394196
(2S,6S)-4-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2184926
(2S,6S)-4-[3-[2-[(2R)-butan-2-yl]phenoxy]propyl]-2,6-dimethylmorpholine
CID 6359907
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
4-[3-(2-butan-2-ylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2935581
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine (CID 7379543) is (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine is C=CCOc1ccccc1OCCCN1C[C@@H](C)O[C@@H](C)C1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine?
The InChIKey is FGIOIGOZSVBXRB-IYBDPMFKSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-11-20-17-8-5-6-9-18(17)21-12-7-10-19-13-15(2)22-16(3)14-19/h4-6,8-9,15-16H,1,7,10-14H2,2-3H3/t15-,16+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine has a molecular weight of 305.42 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine is sourced from PubChem (CID 7379543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).