2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine

C21H27NO2 — CID 2935512

IUPAC2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
SMILESCC1CN(CCCOc2ccccc2-c2ccccc2)CC(C)O1
InChIInChI=1S/C21H27NO2/c1-17-15-22(16-18(2)24-17)13-8-14-23-21-12-7-6-11-20(21)19-9-4-3-5-10-19/h3-7,9-12,17-18H,8,13-16H2,1-2H3
InChIKeyQGNHCJSZAPKCOJ-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.23
Rot. Bonds6

About 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine

2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine (PubChem CID 2935512) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
PubChem CID2935512
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine
SMILESCC1CN(CCCOc2ccccc2-c2ccccc2)CC(C)O1
InChIInChI=1S/C21H27NO2/c1-17-15-22(16-18(2)24-17)13-8-14-23-21-12-7-6-11-20(21)19-9-4-3-5-10-19/h3-7,9-12,17-18H,8,13-16H2,1-2H3
InChIKeyQGNHCJSZAPKCOJ-UHFFFAOYSA-N
XLogP4.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholine;oxalic acid
CID 2936091
(2R,6R)-2,6-dimethyl-4-[2-[2-(2-phenylphenoxy)ethoxy]ethyl]morpholine
CID 7412761
(2R,6S)-2,6-dimethyl-4-[3-(2-prop-2-enoxyphenoxy)propyl]morpholine
CID 7379543
(2R,6R)-4-[4-(2-methoxyphenoxy)butyl]-2,6-dimethylmorpholine
CID 2582416
2-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propoxy]benzonitrile
CID 7379961
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
(2S,6S)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181813
(2R,6R)-4-[3-(2,6-dimethoxyphenoxy)propyl]-2,6-dimethylmorpholine
CID 2181811
(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

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine (CID 2935512) is 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine is CC1CN(CCCOc2ccccc2-c2ccccc2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine?
The InChIKey is QGNHCJSZAPKCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c1-17-15-22(16-18(2)24-17)13-8-14-23-21-12-7-6-11-20(21)19-9-4-3-5-10-19/h3-7,9-12,17-18H,8,13-16H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine?
2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine has a molecular weight of 325.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(2-phenylphenoxy)propyl]morpholine is sourced from PubChem (CID 2935512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).