2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol

C15H23N3O4 — CID 111468279

IUPAC2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cccc([N+](=O)[O-])c1)CN1CCOCC1
InChIInChI=1S/C15H23N3O4/c1-15(19,12-17-5-7-22-8-6-17)11-16-10-13-3-2-4-14(9-13)18(20)21/h2-4,9,16,19H,5-8,10-12H2,1H3
InChIKeyFYRSLZXMMUGFCA-UHFFFAOYSA-N
MW309.37 g/mol
LogP0.77
Rot. Bonds7

About 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol

2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol (PubChem CID 111468279) has the molecular formula C15H23N3O4 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
PubChem CID111468279
Molecular FormulaC15H23N3O4
Molecular Weight309.37 g/mol
Exact Mass309.17
IUPAC Name2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
SMILESCC(O)(CNCc1cccc([N+](=O)[O-])c1)CN1CCOCC1
InChIInChI=1S/C15H23N3O4/c1-15(19,12-17-5-7-22-8-6-17)11-16-10-13-3-2-4-14(9-13)18(20)21/h2-4,9,16,19H,5-8,10-12H2,1H3
InChIKeyFYRSLZXMMUGFCA-UHFFFAOYSA-N
XLogP0.77
TPSA87.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
CID 28643403
1-[(3-chloro-4-methoxyphenyl)methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468274
2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-nitrophenyl)methyl]guanidine
CID 111314912
2-methyl-1-[4-[(3-nitrophenyl)methyl]piperazin-1-yl]propan-2-ol
CID 63101709
2-(2,5-dimethylfuran-3-yl)-1-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111467680
1-ethyl-3-(2-hydroxy-2-methyl-3-morpholin-4-ylpropyl)-2-[(4-nitrophenyl)methyl]guanidine
CID 111658040
1-[[4-(difluoromethoxy)phenyl]methylamino]-2-methyl-3-morpholin-4-ylpropan-2-ol
CID 111468348
2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
2-ethyl-2-[[(3-nitrophenyl)methylamino]methyl]butanoic acid
CID 122129212
1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylamino]ethanone
CID 62316930
2-methyl-1-[(2-methyl-3-pyridinyl)methylamino]-3-morpholin-4-ylpropan-2-ol
CID 111468362
2-methyl-1-morpholin-4-yl-3-[(5-phenoxyfuran-2-yl)methylamino]propan-2-ol
CID 110019108

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol?
The IUPAC name of 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol (CID 111468279) is 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol.
What is the SMILES notation for 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol?
The canonical SMILES for 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol is CC(O)(CNCc1cccc([N+](=O)[O-])c1)CN1CCOCC1.
What is the InChIKey of 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol?
The InChIKey is FYRSLZXMMUGFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4/c1-15(19,12-17-5-7-22-8-6-17)11-16-10-13-3-2-4-14(9-13)18(20)21/h2-4,9,16,19H,5-8,10-12H2,1H3.
What are the key properties of 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol?
2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol has a molecular weight of 309.37 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol is sourced from PubChem (CID 111468279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).