2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine

C15H23N3O3 — CID 28643403

IUPAC2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCC(C)(CNCc1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-15(2,17-6-8-21-9-7-17)12-16-11-13-4-3-5-14(10-13)18(19)20/h3-5,10,16H,6-9,11-12H2,1-2H3
InChIKeyHVVOACWJWNVNGH-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.80
Rot. Bonds6

About 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine

2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine (PubChem CID 28643403) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
PubChem CID28643403
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine
SMILESCC(C)(CNCc1cccc([N+](=O)[O-])c1)N1CCOCC1
InChIInChI=1S/C15H23N3O3/c1-15(2,17-6-8-21-9-7-17)12-16-11-13-4-3-5-14(10-13)18(19)20/h3-5,10,16H,6-9,11-12H2,1-2H3
InChIKeyHVVOACWJWNVNGH-UHFFFAOYSA-N
XLogP1.80
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.80
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'}

Analyze 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-1-(2-methyl-2-morpholin-4-ylpropyl)-3-[(3-nitrophenyl)methyl]guanidine
CID 111314912
2-methyl-1-morpholin-4-yl-3-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111468279
N-[(3-chlorophenyl)methyl]-2-methyl-2-morpholin-4-ylpropan-1-amine
CID 28643355
2-methyl-1-(2-methyl-2-piperidin-1-ylpropyl)-3-[(3-nitrophenyl)methyl]guanidine
CID 111320938
2-bromo-4-[[(2-methyl-2-morpholin-4-ylpropyl)amino]methyl]phenol
CID 60658294
2-[(3-nitrophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63098869
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-ethyl-2-[[(3-nitrophenyl)methylamino]methyl]butanoic acid
CID 122129212
1-(4-methylpiperazin-1-yl)-2-[(3-nitrophenyl)methylamino]ethanone
CID 62316930
2-(2,5-dimethylfuran-3-yl)-1-[(3-nitrophenyl)methylamino]propan-2-ol
CID 111467680
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
N-(2-methyl-2-morpholin-4-ylpropyl)-5-nitro-1-benzothiophene-2-carboxamide
CID 39910313

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine (CID 28643403) is 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine is CC(C)(CNCc1cccc([N+](=O)[O-])c1)N1CCOCC1.
What is the InChIKey of 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine?
The InChIKey is HVVOACWJWNVNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-15(2,17-6-8-21-9-7-17)12-16-11-13-4-3-5-14(10-13)18(19)20/h3-5,10,16H,6-9,11-12H2,1-2H3.
What are the key properties of 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine?
2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-morpholin-4-yl-N-[(3-nitrophenyl)methyl]propan-1-amine is sourced from PubChem (CID 28643403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).