(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine

C14H20N2O3 — CID 67353124

IUPAC(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
SMILESCC(C)(C)N1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)15-8-9-19-13(10-15)11-4-6-12(7-5-11)16(17)18/h4-7,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyXGRWJOXQAYLPNA-ZDUSSCGKSA-N
MW264.32 g/mol
LogP2.77
Rot. Bonds2

About (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine

(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine (PubChem CID 67353124) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
PubChem CID67353124
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
SMILESCC(C)(C)N1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C14H20N2O3/c1-14(2,3)15-8-9-19-13(10-15)11-4-6-12(7-5-11)16(17)18/h4-7,13H,8-10H2,1-3H3/t13-/m0/s1
InChIKeyXGRWJOXQAYLPNA-ZDUSSCGKSA-N
XLogP2.77
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.77
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

4-tert-butyl-2-(4-methylphenyl)morpholine;hydrochloride
CID 3024961
(2R)-4-tert-butyl-2-(4-fluorophenyl)morpholine
CID 67354572
(6S)-4-tert-butyl-6-(4-nitrophenyl)morpholin-3-one
CID 67351700
4-[(2,4-dimethoxyphenyl)methyl]-2-(4-nitrophenyl)morpholine
CID 77271766
5-(4-tert-butylmorpholin-2-yl)pyridin-2-amine;2-hydroxypropane-1,2,3-tricarboxylate
CID 19892024
(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
CID 25058582
1-[(2S)-2-(4-nitrophenyl)-1,3-oxazolidin-3-yl]ethanone
CID 743174
4-[2-(4-nitrocyclohexa-1,5-dien-1-yl)ethyl]-2-(4-nitrophenyl)morpholine
CID 163449268
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
5,5-dimethyl-2-(4-nitrophenyl)morpholine
CID 154639657
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125

Frequently Asked Questions

What is the IUPAC name of (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine?
The IUPAC name of (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine (CID 67353124) is (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine.
What is the SMILES notation for (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine?
The canonical SMILES for (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine is CC(C)(C)N1CCO[C@H](c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine?
The InChIKey is XGRWJOXQAYLPNA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-14(2,3)15-8-9-19-13(10-15)11-4-6-12(7-5-11)16(17)18/h4-7,13H,8-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine?
(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine has a molecular weight of 264.32 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine is sourced from PubChem (CID 67353124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).