2-(2-methylmorpholin-4-yl)-5-nitroaniline

C11H15N3O3 — CID 55080390

IUPAC2-(2-methylmorpholin-4-yl)-5-nitroaniline
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2N)CCO1
InChIInChI=1S/C11H15N3O3/c1-8-7-13(4-5-17-8)11-3-2-9(14(15)16)6-10(11)12/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyWOVHCGZHVFAUPQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.40
Rot. Bonds2

About 2-(2-methylmorpholin-4-yl)-5-nitroaniline

2-(2-methylmorpholin-4-yl)-5-nitroaniline (PubChem CID 55080390) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(2-methylmorpholin-4-yl)-5-nitroaniline.

Molecular Properties

Compound Name2-(2-methylmorpholin-4-yl)-5-nitroaniline
PubChem CID55080390
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(2-methylmorpholin-4-yl)-5-nitroaniline
SMILESCC1CN(c2ccc([N+](=O)[O-])cc2N)CCO1
InChIInChI=1S/C11H15N3O3/c1-8-7-13(4-5-17-8)11-3-2-9(14(15)16)6-10(11)12/h2-3,6,8H,4-5,7,12H2,1H3
InChIKeyWOVHCGZHVFAUPQ-UHFFFAOYSA-N
XLogP1.40
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'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

4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
2-methyl-4-(4-nitrophenyl)morpholine
CID 71113420
2-(3,5-dimethylpiperazin-1-yl)-5-nitroaniline
CID 171982408
5-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 16772686
2-(2,5-dimethylmorpholin-4-yl)-5-nitroaniline
CID 62506629
5-(difluoromethyl)-2-(2-methylmorpholin-4-yl)aniline
CID 112737469
5-nitro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
CID 66393248
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
4-chloro-2-(2-methylmorpholin-4-yl)aniline
CID 115468437
1-[4-(2-methyl-4-nitrophenyl)morpholin-2-yl]ethanamine
CID 115315768
3-amino-N-methyl-4-(2-methylmorpholin-4-yl)benzamide
CID 82989034
4-(3-chloro-2-nitrophenyl)-2-methylmorpholine
CID 104838773

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylmorpholin-4-yl)-5-nitroaniline?
The IUPAC name of 2-(2-methylmorpholin-4-yl)-5-nitroaniline (CID 55080390) is 2-(2-methylmorpholin-4-yl)-5-nitroaniline.
What is the SMILES notation for 2-(2-methylmorpholin-4-yl)-5-nitroaniline?
The canonical SMILES for 2-(2-methylmorpholin-4-yl)-5-nitroaniline is CC1CN(c2ccc([N+](=O)[O-])cc2N)CCO1.
What is the InChIKey of 2-(2-methylmorpholin-4-yl)-5-nitroaniline?
The InChIKey is WOVHCGZHVFAUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8-7-13(4-5-17-8)11-3-2-9(14(15)16)6-10(11)12/h2-3,6,8H,4-5,7,12H2,1H3.
What are the key properties of 2-(2-methylmorpholin-4-yl)-5-nitroaniline?
2-(2-methylmorpholin-4-yl)-5-nitroaniline has a molecular weight of 237.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylmorpholin-4-yl)-5-nitroaniline is sourced from PubChem (CID 55080390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).