4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol

C13H18N2O4 — CID 131864635

IUPAC4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol
SMILESCCN1CCOC(O)(c2ccc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C13H18N2O4/c1-3-14-6-7-19-13(16,9-14)12-5-4-11(15(17)18)8-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyOTJXJDMHENYACO-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.40
Rot. Bonds3

About 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol

4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol (PubChem CID 131864635) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol.

Molecular Properties

Compound Name4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol
PubChem CID131864635
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol
SMILESCCN1CCOC(O)(c2ccc([N+](=O)[O-])cc2C)C1
InChIInChI=1S/C13H18N2O4/c1-3-14-6-7-19-13(16,9-14)12-5-4-11(15(17)18)8-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3
InChIKeyOTJXJDMHENYACO-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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

4-ethyl-2-(3-fluoro-4-nitrophenyl)morpholin-2-ol
CID 131864632
1-(4-ethylmorpholin-2-yl)-N-[(4-nitrophenyl)methyl]methanamine
CID 78946835
2-(4-ethylpiperazin-1-yl)-1-(4-nitrophenyl)ethanol
CID 82215931
1-ethyl-5,5-dimethyl-8-nitro-3,4-dihydro-2H-1-benzazepine
CID 151001715
1-(4-ethylpiperazin-1-yl)-3-(4-nitrophenyl)prop-2-en-1-one
CID 898287
4-[3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]propyl]morpholine
CID 170871274
4-ethyl-2-[(4-nitrophenoxy)methylidene]morpholine;hydrochloride
CID 70598986
N'-(2-methyl-4-nitrophenyl)-N-(2-morpholin-4-ylethyl)oxamide
CID 18588868
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
1-(2-methyl-4-nitrophenyl)-4-(piperazin-1-ylmethyl)piperidin-4-ol
CID 90166149
(3,3-dimethylpiperazin-1-yl)-(2-methyl-4-nitrophenyl)methanone
CID 79506096
methyl 2-(4-ethylpiperazin-1-yl)-5-nitrobenzoate
CID 3137785

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol?
The IUPAC name of 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol (CID 131864635) is 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol.
What is the SMILES notation for 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol?
The canonical SMILES for 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol is CCN1CCOC(O)(c2ccc([N+](=O)[O-])cc2C)C1.
What is the InChIKey of 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol?
The InChIKey is OTJXJDMHENYACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-14-6-7-19-13(16,9-14)12-5-4-11(15(17)18)8-10(12)2/h4-5,8,16H,3,6-7,9H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol?
4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol has a molecular weight of 266.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-methyl-4-nitrophenyl)morpholin-2-ol is sourced from PubChem (CID 131864635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).