[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol

C13H18N2O4 — CID 102935281

IUPAC[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
SMILESCc1ccc(N2CC(C)OC(CO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(5-13(9)15(17)18)14-6-10(2)19-12(7-14)8-16/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyXAFLJFUSBINQKO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.49
Rot. Bonds3

About [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol

[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol (PubChem CID 102935281) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
PubChem CID102935281
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol
SMILESCc1ccc(N2CC(C)OC(CO)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H18N2O4/c1-9-3-4-11(5-13(9)15(17)18)14-6-10(2)19-12(7-14)8-16/h3-5,10,12,16H,6-8H2,1-2H3
InChIKeyXAFLJFUSBINQKO-UHFFFAOYSA-N
XLogP1.49
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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-nitrobenzoic acid
CID 102933153
[6-methyl-4-(4-nitrophenyl)morpholin-2-yl]methanol
CID 102935166
[6-methyl-4-(5-methyl-2-nitrophenyl)morpholin-2-yl]methanol
CID 102935110
[4-[4-(hydroxymethyl)-2-nitrophenyl]-6-methylmorpholin-2-yl]methanol
CID 102933448
[4-(5-methoxy-2-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935192
[1-(4-methyl-3-nitrophenyl)piperidin-3-yl]methanol
CID 62910419
[4-(6-chloro-3-nitro-2-pyridinyl)-6-methylmorpholin-2-yl]methanol
CID 102933958
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-5-nitrobenzonitrile
CID 102932795
[4-(2-iodo-4-nitrophenyl)-6-methylmorpholin-2-yl]methanol
CID 102935104
1-[4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]phenyl]ethanone
CID 102933196
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-nitrobenzoic acid
CID 26598019
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-N,N-dimethylbenzenesulfonamide
CID 102935175

Frequently Asked Questions

What is the IUPAC name of [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol?
The IUPAC name of [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol (CID 102935281) is [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol.
What is the SMILES notation for [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol?
The canonical SMILES for [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol is Cc1ccc(N2CC(C)OC(CO)C2)cc1[N+](=O)[O-].
What is the InChIKey of [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol?
The InChIKey is XAFLJFUSBINQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-3-4-11(5-13(9)15(17)18)14-6-10(2)19-12(7-14)8-16/h3-5,10,12,16H,6-8H2,1-2H3.
What are the key properties of [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol?
[6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol has a molecular weight of 266.30 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-4-(4-methyl-3-nitrophenyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102935281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).