4,5-dimethoxy-2-morpholin-4-ylaniline

C12H18N2O3 — CID 617236

IUPAC4,5-dimethoxy-2-morpholin-4-ylaniline
SMILESCOc1cc(N)c(N2CCOCC2)cc1OC
InChIInChI=1S/C12H18N2O3/c1-15-11-7-9(13)10(8-12(11)16-2)14-3-5-17-6-4-14/h7-8H,3-6,13H2,1-2H3
InChIKeyGCYFJTWWVVFBJJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.12
Rot. Bonds3

About 4,5-dimethoxy-2-morpholin-4-ylaniline

4,5-dimethoxy-2-morpholin-4-ylaniline (PubChem CID 617236) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4,5-dimethoxy-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-morpholin-4-ylaniline
PubChem CID617236
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name4,5-dimethoxy-2-morpholin-4-ylaniline
SMILESCOc1cc(N)c(N2CCOCC2)cc1OC
InChIInChI=1S/C12H18N2O3/c1-15-11-7-9(13)10(8-12(11)16-2)14-3-5-17-6-4-14/h7-8H,3-6,13H2,1-2H3
InChIKeyGCYFJTWWVVFBJJ-UHFFFAOYSA-N
XLogP1.12
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-morpholin-4-ylaniline?
The IUPAC name of 4,5-dimethoxy-2-morpholin-4-ylaniline (CID 617236) is 4,5-dimethoxy-2-morpholin-4-ylaniline.
What is the SMILES notation for 4,5-dimethoxy-2-morpholin-4-ylaniline?
The canonical SMILES for 4,5-dimethoxy-2-morpholin-4-ylaniline is COc1cc(N)c(N2CCOCC2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-morpholin-4-ylaniline?
The InChIKey is GCYFJTWWVVFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-15-11-7-9(13)10(8-12(11)16-2)14-3-5-17-6-4-14/h7-8H,3-6,13H2,1-2H3.
What are the key properties of 4,5-dimethoxy-2-morpholin-4-ylaniline?
4,5-dimethoxy-2-morpholin-4-ylaniline has a molecular weight of 238.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-morpholin-4-ylaniline is sourced from PubChem (CID 617236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).