(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol

C14H20N2O4 — CID 63370957

IUPAC(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-3-12-9-20-7-6-15(12)13-5-4-11(10(2)17)8-14(13)16(18)19/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyZMOBMZKURXCUOC-RWANSRKNSA-N
MW280.32 g/mol
LogP2.26
Rot. Bonds4

About (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol

(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol (PubChem CID 63370957) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
PubChem CID63370957
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol
SMILESCCC1COCCN1c1ccc([C@@H](C)O)cc1[N+](=O)[O-]
InChIInChI=1S/C14H20N2O4/c1-3-12-9-20-7-6-15(12)13-5-4-11(10(2)17)8-14(13)16(18)19/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyZMOBMZKURXCUOC-RWANSRKNSA-N
XLogP2.26
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', '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

1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 61424541
(1R)-1-[3-chloro-4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 55183017
(1S)-1-[4-(3-ethylmorpholin-4-yl)-3-fluorophenyl]ethanol
CID 78939791
(1R)-1-[4-(3-ethylmorpholin-4-yl)phenyl]ethanol
CID 78939798
(1R)-1-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-nitrophenyl]ethanol
CID 63372647
(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 55185182
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
1-[4-(azepan-1-yl)-3-nitrophenyl]ethanol
CID 43505916
(1S)-1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-3-nitrophenyl]ethanol
CID 104921387
1-[1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]pyrrolidin-3-yl]ethanol
CID 103942845
1-[4-[4-(dimethylamino)piperidin-1-yl]-3-nitrophenyl]ethanol
CID 43586220
4-(3-chloro-2-nitrophenyl)-3-ethylmorpholine
CID 104838831

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol (CID 63370957) is (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol is CCC1COCCN1c1ccc([C@@H](C)O)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The InChIKey is ZMOBMZKURXCUOC-RWANSRKNSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-3-12-9-20-7-6-15(12)13-5-4-11(10(2)17)8-14(13)16(18)19/h4-5,8,10,12,17H,3,6-7,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol?
(1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol has a molecular weight of 280.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(3-ethylmorpholin-4-yl)-3-nitrophenyl]ethanol is sourced from PubChem (CID 63370957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).