2-methoxy-4-morpholin-4-yl-5-nitroaniline

C11H15N3O4 — CID 121269009

IUPAC2-methoxy-4-morpholin-4-yl-5-nitroaniline
SMILESCOc1cc(N2CCOCC2)c([N+](=O)[O-])cc1N
InChIInChI=1S/C11H15N3O4/c1-17-11-7-9(13-2-4-18-5-3-13)10(14(15)16)6-8(11)12/h6-7H,2-5,12H2,1H3
InChIKeyYMIYWAWQAYMLPZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.02
Rot. Bonds3

About 2-methoxy-4-morpholin-4-yl-5-nitroaniline

2-methoxy-4-morpholin-4-yl-5-nitroaniline (PubChem CID 121269009) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methoxy-4-morpholin-4-yl-5-nitroaniline.

Molecular Properties

Compound Name2-methoxy-4-morpholin-4-yl-5-nitroaniline
PubChem CID121269009
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methoxy-4-morpholin-4-yl-5-nitroaniline
SMILESCOc1cc(N2CCOCC2)c([N+](=O)[O-])cc1N
InChIInChI=1S/C11H15N3O4/c1-17-11-7-9(13-2-4-18-5-3-13)10(14(15)16)6-8(11)12/h6-7H,2-5,12H2,1H3
InChIKeyYMIYWAWQAYMLPZ-UHFFFAOYSA-N
XLogP1.02
TPSA90.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-morpholin-4-yl-5-nitroaniline?
The IUPAC name of 2-methoxy-4-morpholin-4-yl-5-nitroaniline (CID 121269009) is 2-methoxy-4-morpholin-4-yl-5-nitroaniline.
What is the SMILES notation for 2-methoxy-4-morpholin-4-yl-5-nitroaniline?
The canonical SMILES for 2-methoxy-4-morpholin-4-yl-5-nitroaniline is COc1cc(N2CCOCC2)c([N+](=O)[O-])cc1N.
What is the InChIKey of 2-methoxy-4-morpholin-4-yl-5-nitroaniline?
The InChIKey is YMIYWAWQAYMLPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-17-11-7-9(13-2-4-18-5-3-13)10(14(15)16)6-8(11)12/h6-7H,2-5,12H2,1H3.
What are the key properties of 2-methoxy-4-morpholin-4-yl-5-nitroaniline?
2-methoxy-4-morpholin-4-yl-5-nitroaniline has a molecular weight of 253.26 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-morpholin-4-yl-5-nitroaniline is sourced from PubChem (CID 121269009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).