2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline

C13H19N3O3 — CID 107350860

IUPAC2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline
SMILESCC1CN(Cc2cccc([N+](=O)[O-])c2N)C(C)CO1
InChIInChI=1S/C13H19N3O3/c1-9-8-19-10(2)6-15(9)7-11-4-3-5-12(13(11)14)16(17)18/h3-5,9-10H,6-8,14H2,1-2H3
InChIKeyYSWSEUJEZDDLAU-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.79
Rot. Bonds3

About 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline

2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline (PubChem CID 107350860) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline.

Molecular Properties

Compound Name2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline
PubChem CID107350860
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline
SMILESCC1CN(Cc2cccc([N+](=O)[O-])c2N)C(C)CO1
InChIInChI=1S/C13H19N3O3/c1-9-8-19-10(2)6-15(9)7-11-4-3-5-12(13(11)14)16(17)18/h3-5,9-10H,6-8,14H2,1-2H3
InChIKeyYSWSEUJEZDDLAU-UHFFFAOYSA-N
XLogP1.79
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitrobenzoic acid
CID 104825886
2-[(2,6-dimethylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350725
2-nitro-6-[(2,2,6-trimethylmorpholin-4-yl)methyl]aniline
CID 107351068
3-[(2,5-dimethylmorpholin-4-yl)methyl]pyridin-2-amine
CID 62471712
2,5-dimethyl-4-[(2-methylphenyl)methyl]morpholine
CID 75808664
2-nitro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)aniline
CID 107351418
5-(2,5-dimethylmorpholin-4-yl)-2-nitroaniline
CID 106751450
2-[(3-methylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350692
2-nitro-6-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]aniline
CID 107351631
2-[(3-ethylpyrrolidin-1-yl)methyl]-6-nitroaniline
CID 107351544
2-(azocan-1-ylmethyl)-6-nitroaniline
CID 107350754
(2R,5R)-2,5-dimethyl-4-(quinolin-8-ylmethyl)morpholine
CID 94062962

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline?
The IUPAC name of 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline (CID 107350860) is 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline.
What is the SMILES notation for 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline?
The canonical SMILES for 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline is CC1CN(Cc2cccc([N+](=O)[O-])c2N)C(C)CO1.
What is the InChIKey of 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline?
The InChIKey is YSWSEUJEZDDLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9-8-19-10(2)6-15(9)7-11-4-3-5-12(13(11)14)16(17)18/h3-5,9-10H,6-8,14H2,1-2H3.
What are the key properties of 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline?
2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline has a molecular weight of 265.31 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylmorpholin-4-yl)methyl]-6-nitroaniline is sourced from PubChem (CID 107350860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).