2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine

C16H15BrN2O3 — CID 47983309

IUPAC2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccccc1N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H15BrN2O3/c17-13-7-5-12(6-8-13)16-11-18(9-10-22-16)14-3-1-2-4-15(14)19(20)21/h1-8,16H,9-11H2
InChIKeyFGEADLBLPWPXSQ-UHFFFAOYSA-N
MW363.21 g/mol
LogP3.94
Rot. Bonds3

About 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine

2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine (PubChem CID 47983309) has the molecular formula C16H15BrN2O3 and a molecular weight of 363.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
PubChem CID47983309
Molecular FormulaC16H15BrN2O3
Molecular Weight363.21 g/mol
Exact Mass362.03
IUPAC Name2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccccc1N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H15BrN2O3/c17-13-7-5-12(6-8-13)16-11-18(9-10-22-16)14-3-1-2-4-15(14)19(20)21/h1-8,16H,9-11H2
InChIKeyFGEADLBLPWPXSQ-UHFFFAOYSA-N
XLogP3.94
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.21
LogP ≤ 53.94
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

2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
CID 47983349
4-(2-nitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363741
[4-(2-nitrophenyl)morpholin-2-yl]methanol
CID 79839619
2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 56557020
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-4-cyanobenzenesulfonamide
CID 100675315
(2R)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-phenylmorpholine
CID 97015229
4-(3-nitro-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449807
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
4-(2,4-dinitrophenyl)-2-thiophen-2-ylmorpholine
CID 133363496
2-(4-bromophenyl)-4-(4,6-dimethylpyrimidin-2-yl)morpholine
CID 47983335
4-[4-[(2R,5R)-2,5-bis(4-chloro-3-nitrophenyl)pyrrolidin-1-yl]-2,6-difluorophenyl]-2-phenylmorpholine
CID 87083025

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine (CID 47983309) is 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine is O=[N+]([O-])c1ccccc1N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine?
The InChIKey is FGEADLBLPWPXSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O3/c17-13-7-5-12(6-8-13)16-11-18(9-10-22-16)14-3-1-2-4-15(14)19(20)21/h1-8,16H,9-11H2.
What are the key properties of 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine?
2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine has a molecular weight of 363.21 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine is sourced from PubChem (CID 47983309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).