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

C15H22N2O4 — CID 2995034

IUPAC2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
SMILESCC1CN(CCCOc2cccc([N+](=O)[O-])c2)CC(C)O1
InChIInChI=1S/C15H22N2O4/c1-12-10-16(11-13(2)21-12)7-4-8-20-15-6-3-5-14(9-15)17(18)19/h3,5-6,9,12-13H,4,7-8,10-11H2,1-2H3
InChIKeyOUVPJANJTOYHRA-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.47
Rot. Bonds6

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

2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine (PubChem CID 2995034) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
PubChem CID2995034
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
SMILESCC1CN(CCCOc2cccc([N+](=O)[O-])c2)CC(C)O1
InChIInChI=1S/C15H22N2O4/c1-12-10-16(11-13(2)21-12)7-4-8-20-15-6-3-5-14(9-15)17(18)19/h3,5-6,9,12-13H,4,7-8,10-11H2,1-2H3
InChIKeyOUVPJANJTOYHRA-UHFFFAOYSA-N
XLogP2.47
TPSA64.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
CID 7379909
3-[3-(2,6-dimethylmorpholin-4-yl)propoxy]aniline
CID 43365509
1-nitro-3-[4-(3-nitrophenoxy)butoxy]benzene
CID 606509
(2S,6S)-4-[4-(3-chlorophenoxy)butyl]-2,6-dimethylmorpholine
CID 2182958
4-[3-(3-ethylphenoxy)propyl]-2,6-dimethylmorpholine;oxalic acid
CID 2935433
(2R,6S)-2,6-dimethyl-4-[2-(3-methylphenoxy)ethyl]morpholine
CID 51970005
(2R,6S)-2,6-dimethyl-4-[2-(3-propoxyphenoxy)ethyl]morpholine
CID 7394222
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
4-[3-(2,3-dihydro-1H-inden-5-yloxy)propyl]-2,6-dimethylmorpholine
CID 2993602
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
1-nitro-3-octoxybenzene
CID 3442932
(2S,6R)-4-[3-(4-chloro-3-ethylphenoxy)propyl]-2,6-dimethylmorpholine
CID 2182939

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine (CID 2995034) is 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine is CC1CN(CCCOc2cccc([N+](=O)[O-])c2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine?
The InChIKey is OUVPJANJTOYHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12-10-16(11-13(2)21-12)7-4-8-20-15-6-3-5-14(9-15)17(18)19/h3,5-6,9,12-13H,4,7-8,10-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine?
2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine has a molecular weight of 294.35 g/mol, XLogP of 2.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine is sourced from PubChem (CID 2995034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).