2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine

C16H25NO3 — CID 114775379

IUPAC2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine
SMILESCC1(C)CNCC(COCCCOc2ccccc2)O1
InChIInChI=1S/C16H25NO3/c1-16(2)13-17-11-15(20-16)12-18-9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,15,17H,6,9-13H2,1-2H3
InChIKeyRFYCNXVJUAXRMH-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.24
Rot. Bonds7

About 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine

2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine (PubChem CID 114775379) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine.

Molecular Properties

Compound Name2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine
PubChem CID114775379
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine
SMILESCC1(C)CNCC(COCCCOc2ccccc2)O1
InChIInChI=1S/C16H25NO3/c1-16(2)13-17-11-15(20-16)12-18-9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,15,17H,6,9-13H2,1-2H3
InChIKeyRFYCNXVJUAXRMH-UHFFFAOYSA-N
XLogP2.24
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6,6-dimethylmorpholin-2-yl)methoxy]-N,N-dimethylpropan-1-amine
CID 114775638
2-[2-[(6,6-dimethylmorpholin-2-yl)methoxymethyl]phenyl]acetic acid
CID 106940905
4-[(6,6-dimethylmorpholin-2-yl)methoxy]benzonitrile
CID 114775943
6-[(3-methoxyphenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 114775645
2,2-dimethyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]morpholine
CID 114775589
2,2-dimethyl-6-[(2-nitrophenyl)methoxymethyl]morpholine
CID 114775521
(5S)-2,2-dimethyl-5-(phenoxymethyl)oxolane
CID 141293396
2,2-dimethyl-6-[(2-nitrophenoxy)methyl]morpholine
CID 114775829
6-[(3-chloro-2-fluorophenyl)methoxymethyl]-2,2-dimethylmorpholine
CID 102856484
2-[(6,6-dimethylmorpholin-2-yl)methoxy]-N-methylbenzenesulfonamide
CID 114775875
2,2-dimethyl-6-(oxolan-3-ylmethoxymethyl)morpholine
CID 114775329
6-[(6,6-dimethylmorpholin-2-yl)methoxy]pyridine-3-carbonitrile
CID 114775825

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine?
The IUPAC name of 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine (CID 114775379) is 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine.
What is the SMILES notation for 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine?
The canonical SMILES for 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine is CC1(C)CNCC(COCCCOc2ccccc2)O1.
What is the InChIKey of 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine?
The InChIKey is RFYCNXVJUAXRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-16(2)13-17-11-15(20-16)12-18-9-6-10-19-14-7-4-3-5-8-14/h3-5,7-8,15,17H,6,9-13H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine?
2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine has a molecular weight of 279.38 g/mol, XLogP of 2.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(3-phenoxypropoxymethyl)morpholine is sourced from PubChem (CID 114775379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).