N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline

C13H19N3O3 — CID 173013317

IUPACN-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
SMILESCN(CCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14(5-6-15-7-9-19-10-8-15)12-3-2-4-13(11-12)16(17)18/h2-4,11H,5-10H2,1H3
InChIKeyVWMMTZZOFFREOA-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.36
Rot. Bonds5

About N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline

N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline (PubChem CID 173013317) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline.

Molecular Properties

Compound NameN-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
PubChem CID173013317
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline
SMILESCN(CCN1CCOCC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H19N3O3/c1-14(5-6-15-7-9-19-10-8-15)12-3-2-4-13(11-12)16(17)18/h2-4,11H,5-10H2,1H3
InChIKeyVWMMTZZOFFREOA-UHFFFAOYSA-N
XLogP1.36
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
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 N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline 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

N-methyl-3-methylsulfonyl-N-(2-morpholin-4-ylethyl)-4-nitroaniline
CID 133401118
N,N-dimethyl-2-(3-morpholin-4-ylpropyl)-4-nitroaniline
CID 170869990
2-methyl-N-(2-morpholin-4-ylethyl)-3,5-dinitro-N-phenylbenzamide
CID 60622382
N-[(2R)-2-hydroxy-3-morpholin-4-ylpropyl]-4-methyl-N-(3-nitrophenyl)benzenesulfonamide
CID 1421082
4-tert-butyl-N-methyl-N-(2-morpholin-4-ylethyl)aniline
CID 158025581
N-(4-morpholin-4-ylbutyl)-3-nitrobenzamide
CID 47041854
(E)-5-morpholin-4-yl-1-(3-nitrophenyl)pent-1-en-3-one
CID 12842153
N,1-dimethyl-N-(3-nitrophenyl)pyrrolidin-3-amine
CID 173013327
1-(2-cyanoethyl)-1-(2-morpholin-4-ylethyl)-3-(3-nitrophenyl)urea
CID 71943631
3-(2-morpholin-4-ylethyl)-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 127049590
(2S)-1-[2-hydroxyethyl(2-morpholin-4-ylethyl)amino]-3-(3-nitrophenoxy)propan-2-ol
CID 95789244
N-[3-[[3-[methylsulfonyl(2-morpholin-4-ylethyl)amino]phenyl]disulfanyl]phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 89459867

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline?
The IUPAC name of N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline (CID 173013317) is N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline.
What is the SMILES notation for N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline?
The canonical SMILES for N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline is CN(CCN1CCOCC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline?
The InChIKey is VWMMTZZOFFREOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-14(5-6-15-7-9-19-10-8-15)12-3-2-4-13(11-12)16(17)18/h2-4,11H,5-10H2,1H3.
What are the key properties of N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline?
N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline has a molecular weight of 265.31 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-morpholin-4-ylethyl)-3-nitroaniline is sourced from PubChem (CID 173013317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).