(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine

C16H24N2O5 — CID 7379909

IUPAC(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
SMILESC[C@@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O5/c1-13-11-17(12-14(2)23-13)6-7-21-8-9-22-16-5-3-4-15(10-16)18(19)20/h3-5,10,13-14H,6-9,11-12H2,1-2H3/t13-,14+
InChIKeyZKKLXQCDHKSMQJ-OKILXGFUSA-N
MW324.38 g/mol
LogP2.10
Rot. Bonds8

About (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine

(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine (PubChem CID 7379909) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
PubChem CID7379909
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine
SMILESC[C@@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1
InChIInChI=1S/C16H24N2O5/c1-13-11-17(12-14(2)23-13)6-7-21-8-9-22-16-5-3-4-15(10-16)18(19)20/h3-5,10,13-14H,6-9,11-12H2,1-2H3/t13-,14+
InChIKeyZKKLXQCDHKSMQJ-OKILXGFUSA-N
XLogP2.10
TPSA74.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

2,6-dimethyl-4-[3-(3-nitrophenoxy)propyl]morpholine
CID 2995034
1-[3-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7379667
4-[2-[2-(3-ethylphenoxy)ethoxy]ethyl]-2,6-dimethylmorpholine;oxalic acid
CID 2934633
(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
(2R,6R)-4-[2-[2-(2,3-dihydro-1H-inden-5-yloxy)ethoxy]ethyl]-2,6-dimethylmorpholine
CID 7379777
1-methyl-4-[2-(3-nitrophenoxy)ethyl]piperazine;hydrochloride
CID 2993253
4-methyl-1-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]piperidin-1-ium
CID 7394169
(2S,6S)-2,6-dimethyl-4-[2-(3-phenoxyphenoxy)ethyl]morpholine
CID 887587
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

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine?
The IUPAC name of (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine (CID 7379909) is (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine is C[C@@H]1CN(CCOCCOc2cccc([N+](=O)[O-])c2)C[C@H](C)O1.
What is the InChIKey of (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine?
The InChIKey is ZKKLXQCDHKSMQJ-OKILXGFUSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-13-11-17(12-14(2)23-13)6-7-21-8-9-22-16-5-3-4-15(10-16)18(19)20/h3-5,10,13-14H,6-9,11-12H2,1-2H3/t13-,14+.
What are the key properties of (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine?
(2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine has a molecular weight of 324.38 g/mol, XLogP of 2.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-4-[2-[2-(3-nitrophenoxy)ethoxy]ethyl]morpholine is sourced from PubChem (CID 7379909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).