(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine

C12H16N2O3 — CID 7210197

IUPAC(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
SMILESC[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-5-3-4-6-12(11)14(15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZZBYVKYAISMKDR-NXEZZACHSA-N
MW236.27 g/mol
LogP2.21
Rot. Bonds2

About (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine

(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine (PubChem CID 7210197) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine.

Molecular Properties

Compound Name(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
PubChem CID7210197
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
SMILESC[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1
InChIInChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-5-3-4-6-12(11)14(15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1
InChIKeyZZBYVKYAISMKDR-NXEZZACHSA-N
XLogP2.21
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-3,5-dimethyl-1-(2-nitrophenyl)piperazine
CID 7059973
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitroaniline
CID 26597523
4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-nitro-N-phenylbenzenesulfonamide
CID 9186405
2,6-dimethyl-4-[2-nitro-4-(trifluoromethyl)phenyl]morpholine
CID 3911191
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrobenzonitrile
CID 93245651
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrobenzonitrile
CID 93245653
[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]methanol
CID 28963407
2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-nitrobenzonitrile
CID 124863325
(E)-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]prop-2-enenitrile
CID 95340156
(2R,6R)-2,6-dimethyl-4-(2-nitro-4-pyrrolidin-1-ylsulfonylphenyl)morpholine
CID 8933248
ethane;1-(2-nitrophenyl)piperidine
CID 177332919
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116893

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine?
The IUPAC name of (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine (CID 7210197) is (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine.
What is the SMILES notation for (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine?
The canonical SMILES for (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine is C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1.
What is the InChIKey of (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine?
The InChIKey is ZZBYVKYAISMKDR-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-9-7-13(8-10(2)17-9)11-5-3-4-6-12(11)14(15)16/h3-6,9-10H,7-8H2,1-2H3/t9-,10-/m1/s1.
What are the key properties of (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine?
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine has a molecular weight of 236.27 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine is sourced from PubChem (CID 7210197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).