N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline

C13H19N3O3 — CID 133386498

IUPACN-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
SMILESCC(Nc1ccccc1[N+](=O)[O-])C1CN(C)CCO1
InChIInChI=1S/C13H19N3O3/c1-10(13-9-15(2)7-8-19-13)14-11-5-3-4-6-12(11)16(17)18/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyOIBOHHYLMCJLKU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.73
Rot. Bonds4

About N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline

N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline (PubChem CID 133386498) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline.

Molecular Properties

Compound NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
PubChem CID133386498
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline
SMILESCC(Nc1ccccc1[N+](=O)[O-])C1CN(C)CCO1
InChIInChI=1S/C13H19N3O3/c1-10(13-9-15(2)7-8-19-13)14-11-5-3-4-6-12(11)16(17)18/h3-6,10,13-14H,7-9H2,1-2H3
InChIKeyOIBOHHYLMCJLKU-UHFFFAOYSA-N
XLogP1.73
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.73
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 N-[1-(4-methylmorpholin-2-yl)ethyl]-2-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

methyl 5-[1-(4-methylmorpholin-2-yl)ethylamino]-2-nitrobenzoate
CID 133386455
2-nitro-N-[(1S)-1-(oxan-4-yl)ethyl]aniline
CID 124679742
CID 139465682
CID 139465682
5-fluoro-2-[1-(4-methylmorpholin-2-yl)ethylamino]benzonitrile
CID 133386483
2-[1-(4-methylmorpholin-2-yl)ethylamino]pyridine-3-carbonitrile
CID 133386451
6-ethyl-N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(4-nitrophenyl)pyrimidin-4-amine
CID 133386487
2-methyl-N-[(1S)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]-2-phenylpropan-1-amine
CID 97256924
azane;2-nitro-N-propan-2-ylaniline
CID 174872000
4-(difluoromethylsulfonyl)-N-[1-(4-methylmorpholin-2-yl)ethyl]aniline
CID 133386364
N-(5-methylhexan-2-yl)-2-nitroaniline
CID 43718167
1-[4-[(2-nitrophenyl)methyl]morpholin-2-yl]ethanamine
CID 81490216
4-(azepan-1-ylsulfonyl)-2-nitro-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]aniline
CID 25337190

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline?
The IUPAC name of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline (CID 133386498) is N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline.
What is the SMILES notation for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline?
The canonical SMILES for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline is CC(Nc1ccccc1[N+](=O)[O-])C1CN(C)CCO1.
What is the InChIKey of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline?
The InChIKey is OIBOHHYLMCJLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(13-9-15(2)7-8-19-13)14-11-5-3-4-6-12(11)16(17)18/h3-6,10,13-14H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline?
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline has a molecular weight of 265.31 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylmorpholin-2-yl)ethyl]-2-nitroaniline is sourced from PubChem (CID 133386498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).