3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline

C15H23N3O3 — CID 80749761

IUPAC3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline
SMILESCCCNc1cccc(N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-4-8-16-13-6-5-7-14(15(13)18(19)20)17-9-11(2)21-12(3)10-17/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyLADUCSUBJYRGPE-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.03
Rot. Bonds5

About 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline

3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline (PubChem CID 80749761) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline.

Molecular Properties

Compound Name3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline
PubChem CID80749761
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline
SMILESCCCNc1cccc(N2CC(C)OC(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H23N3O3/c1-4-8-16-13-6-5-7-14(15(13)18(19)20)17-9-11(2)21-12(3)10-17/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyLADUCSUBJYRGPE-UHFFFAOYSA-N
XLogP3.03
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.03
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 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline 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

3-(3,4-dimethylpiperazin-1-yl)-2-nitro-N-propylaniline
CID 80816918
1-[3-(ethylamino)-2-nitrophenyl]pyrrolidine-3,4-diol
CID 106674514
2-nitro-1-N,3-N-dipropylbenzene-1,3-diamine
CID 80765798
4-[2-nitro-3-(propylamino)phenyl]-1,4-diazepan-2-one
CID 80828870
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-hydroxy-2-nitrobenzamide
CID 124882872
(2R,6R)-2,6-dimethyl-4-(2-nitrophenyl)morpholine
CID 7210197
3-(1,3-dihydroisoindol-2-yl)-N-ethyl-2-nitroaniline
CID 80798609
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
3-(3,5-dimethylpiperidin-1-yl)-N-methyl-2-nitroaniline
CID 80767775
2-nitro-N-propyl-3-(2-propylimidazol-1-yl)aniline
CID 80841883
(2S,6R)-4-(2-ethyl-4-nitrophenyl)-2,6-dimethylmorpholine
CID 100804874
3-(2-cyclopropylethoxy)-2-nitro-N-propylaniline
CID 106207575

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline?
The IUPAC name of 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline (CID 80749761) is 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline.
What is the SMILES notation for 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline?
The canonical SMILES for 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline is CCCNc1cccc(N2CC(C)OC(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline?
The InChIKey is LADUCSUBJYRGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-4-8-16-13-6-5-7-14(15(13)18(19)20)17-9-11(2)21-12(3)10-17/h5-7,11-12,16H,4,8-10H2,1-3H3.
What are the key properties of 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline?
3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline has a molecular weight of 293.37 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylmorpholin-4-yl)-2-nitro-N-propylaniline is sourced from PubChem (CID 80749761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).