4-[1-(4-nitrophenyl)ethyl]morpholine

C12H16N2O3 — CID 13398803

IUPAC4-[1-(4-nitrophenyl)ethyl]morpholine
SMILESCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-10(13-6-8-17-9-7-13)11-2-4-12(5-3-11)14(15)16/h2-5,10H,6-9H2,1H3
InChIKeyQIYBRUQLBAEJGZ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.99
Rot. Bonds3

About 4-[1-(4-nitrophenyl)ethyl]morpholine

4-[1-(4-nitrophenyl)ethyl]morpholine (PubChem CID 13398803) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-[1-(4-nitrophenyl)ethyl]morpholine.

Molecular Properties

Compound Name4-[1-(4-nitrophenyl)ethyl]morpholine
PubChem CID13398803
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-[1-(4-nitrophenyl)ethyl]morpholine
SMILESCC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C12H16N2O3/c1-10(13-6-8-17-9-7-13)11-2-4-12(5-3-11)14(15)16/h2-5,10H,6-9H2,1H3
InChIKeyQIYBRUQLBAEJGZ-UHFFFAOYSA-N
XLogP1.99
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.99
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

1-[(1R)-1-(4-nitrophenyl)ethyl]piperazine;dihydrochloride
CID 171285206
2-morpholin-4-yl-2-(4-nitrophenyl)acetonitrile
CID 84747445
2-morpholin-4-yl-2-(4-nitrophenyl)ethanamine
CID 82041960
4-[1-(4-nitrophenyl)sulfanylethyl]morpholine
CID 19779513
4-(1-morpholin-4-ylethyl)aniline
CID 50987527
4-[1-(4-nitrophenyl)sulfonylpropan-2-yl]morpholine
CID 2928740
2-morpholin-4-yl-2-(4-nitrophenyl)ethanesulfonyl fluoride
CID 162406640
7,16-bis[(1R)-1-phenylethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 12990897
4-(1-phenylethyl)morpholine;hydrochloride
CID 3057369
4-[(1S)-1-[4-(4-methylsulfonylphenyl)phenyl]ethyl]morpholine
CID 126430266
N-[[1-[1-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]ethanamine
CID 80550986
1-[1-[1-(4-nitrophenyl)ethyl]pyrrolidin-3-yl]ethanamine
CID 112630141

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-nitrophenyl)ethyl]morpholine?
The IUPAC name of 4-[1-(4-nitrophenyl)ethyl]morpholine (CID 13398803) is 4-[1-(4-nitrophenyl)ethyl]morpholine.
What is the SMILES notation for 4-[1-(4-nitrophenyl)ethyl]morpholine?
The canonical SMILES for 4-[1-(4-nitrophenyl)ethyl]morpholine is CC(c1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of 4-[1-(4-nitrophenyl)ethyl]morpholine?
The InChIKey is QIYBRUQLBAEJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-10(13-6-8-17-9-7-13)11-2-4-12(5-3-11)14(15)16/h2-5,10H,6-9H2,1H3.
What are the key properties of 4-[1-(4-nitrophenyl)ethyl]morpholine?
4-[1-(4-nitrophenyl)ethyl]morpholine has a molecular weight of 236.27 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-nitrophenyl)ethyl]morpholine is sourced from PubChem (CID 13398803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).