(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol

C13H18N2O4 — CID 55185182

IUPAC(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
SMILESCC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H18N2O4/c1-9-8-14(5-6-19-9)12-4-3-11(10(2)16)7-13(12)15(17)18/h3-4,7,9-10,16H,5-6,8H2,1-2H3/t9?,10-/m1/s1
InChIKeyICOKYYRHZCBFLU-QVDQXJPCSA-N
MW266.30 g/mol
LogP1.87
Rot. Bonds3

About (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol

(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol (PubChem CID 55185182) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
PubChem CID55185182
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
SMILESCC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C13H18N2O4/c1-9-8-14(5-6-19-9)12-4-3-11(10(2)16)7-13(12)15(17)18/h3-4,7,9-10,16H,5-6,8H2,1-2H3/t9?,10-/m1/s1
InChIKeyICOKYYRHZCBFLU-QVDQXJPCSA-N
XLogP1.87
TPSA75.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.87
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

4-[4-(1-hydroxyethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 79674902
1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959789
1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]-4-methylpiperidin-3-ol
CID 102959765
(1S)-1-[3-nitro-4-(2,2,6-trimethylmorpholin-4-yl)phenyl]ethanol
CID 78938359
1-[1-[4-[(1R)-1-hydroxyethyl]-2-nitrophenyl]pyrrolidin-3-yl]ethanol
CID 103942845
1-[4-(5-ethyl-2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol
CID 61424541
1-[4-(azepan-1-yl)-3-nitrophenyl]ethanol
CID 43505916
(1R)-1-[4-(3-methoxy-4-methylpiperidin-1-yl)-3-nitrophenyl]ethanol
CID 102959901
1-[4-[4-(dimethylamino)piperidin-1-yl]-3-nitrophenyl]ethanol
CID 43586220
1-[1-[4-[(1S)-1-hydroxyethyl]-2-nitrophenyl]piperidin-4-yl]ethanol
CID 106836482
(1R)-1-[4-(4-methylazepan-1-yl)-3-nitrophenyl]ethanol
CID 78946719
(1R)-1-[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-3-nitrophenyl]ethanol
CID 63372647

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol (CID 55185182) is (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol is CC1CN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])CCO1.
What is the InChIKey of (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol?
The InChIKey is ICOKYYRHZCBFLU-QVDQXJPCSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-8-14(5-6-19-9)12-4-3-11(10(2)16)7-13(12)15(17)18/h3-4,7,9-10,16H,5-6,8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol?
(1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-methylmorpholin-4-yl)-3-nitrophenyl]ethanol is sourced from PubChem (CID 55185182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).