[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone

C14H19N3O4 — CID 81487374

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-3-4-11(7-12(9)17(19)20)14(18)16-5-6-21-13(8-16)10(2)15/h3-4,7,10,13H,5-6,8,15H2,1-2H3
InChIKeyVIQMGPVEVNMGGE-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.09
Rot. Bonds3

About [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (PubChem CID 81487374) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
PubChem CID81487374
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
SMILESCc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1[N+](=O)[O-]
InChIInChI=1S/C14H19N3O4/c1-9-3-4-11(7-12(9)17(19)20)14(18)16-5-6-21-13(8-16)10(2)15/h3-4,7,10,13H,5-6,8,15H2,1-2H3
InChIKeyVIQMGPVEVNMGGE-UHFFFAOYSA-N
XLogP1.09
TPSA98.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.09
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

[2-(1-aminoethyl)morpholin-4-yl]-(2-nitrophenyl)methanone
CID 81484249
[2-(1-aminoethyl)morpholin-4-yl]-(4-fluoro-2-nitrophenyl)methanone
CID 115737892
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(3,5-dichlorophenyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 121134505
[2-(1-aminoethyl)morpholin-4-yl]-(5-nitrofuran-2-yl)methanone
CID 81484873
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
CID 81484348
[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(hydroxymethyl)morpholin-4-yl]-(3-methyl-4-nitrophenyl)methanone
CID 81208302
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 32528473
[4-(methylamino)piperidin-1-yl]-(4-methyl-3-nitrophenyl)methanone
CID 119562505

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone (CID 81487374) is [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is Cc1ccc(C(=O)N2CCOC(C(C)N)C2)cc1[N+](=O)[O-].
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
The InChIKey is VIQMGPVEVNMGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9-3-4-11(7-12(9)17(19)20)14(18)16-5-6-21-13(8-16)10(2)15/h3-4,7,10,13H,5-6,8,15H2,1-2H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone has a molecular weight of 293.32 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone is sourced from PubChem (CID 81487374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).