(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine

C17H27NO3 — CID 2582416

IUPAC(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H27NO3/c1-14-12-18(13-15(2)21-14)10-6-7-11-20-17-9-5-4-8-16(17)19-3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/t14-,15-/m1/s1
InChIKeySGZOVOBZCNFWSZ-HUUCEWRRSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds7

About (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine

(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine (PubChem CID 2582416) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine.

Molecular Properties

Compound Name(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
PubChem CID2582416
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
SMILESCOc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1
InChIInChI=1S/C17H27NO3/c1-14-12-18(13-15(2)21-14)10-6-7-11-20-17-9-5-4-8-16(17)19-3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/t14-,15-/m1/s1
InChIKeySGZOVOBZCNFWSZ-HUUCEWRRSA-N
XLogP2.96
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]benzonitrile
CID 2996447
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
(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
2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
1-[2-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]butoxy]phenyl]propan-1-one
CID 7380349
4-[4-(2-bromophenoxy)butyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934524
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
CID 2935512
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine?
The IUPAC name of (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine (CID 2582416) is (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine.
What is the SMILES notation for (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine?
The canonical SMILES for (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine is COc1ccccc1OCCCCN1C[C@@H](C)O[C@H](C)C1.
What is the InChIKey of (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine?
The InChIKey is SGZOVOBZCNFWSZ-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27NO3/c1-14-12-18(13-15(2)21-14)10-6-7-11-20-17-9-5-4-8-16(17)19-3/h4-5,8-9,14-15H,6-7,10-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine?
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine has a molecular weight of 293.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine is sourced from PubChem (CID 2582416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).