2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline

C13H19IN2O — CID 66064888

IUPAC2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
SMILESCCC1COC(C)CN1c1ccc(I)cc1N
InChIInChI=1S/C13H19IN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyQPRAESFDQJNFMM-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.88
Rot. Bonds2

About 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline

2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline (PubChem CID 66064888) has the molecular formula C13H19IN2O and a molecular weight of 346.21 g/mol. Its IUPAC name is 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline.

Molecular Properties

Compound Name2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
PubChem CID66064888
Molecular FormulaC13H19IN2O
Molecular Weight346.21 g/mol
Exact Mass346.05
IUPAC Name2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline
SMILESCCC1COC(C)CN1c1ccc(I)cc1N
InChIInChI=1S/C13H19IN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3
InChIKeyQPRAESFDQJNFMM-UHFFFAOYSA-N
XLogP2.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline?
The IUPAC name of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline (CID 66064888) is 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline.
What is the SMILES notation for 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline?
The canonical SMILES for 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline is CCC1COC(C)CN1c1ccc(I)cc1N.
What is the InChIKey of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline?
The InChIKey is QPRAESFDQJNFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19IN2O/c1-3-11-8-17-9(2)7-16(11)13-5-4-10(14)6-12(13)15/h4-6,9,11H,3,7-8,15H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline?
2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline has a molecular weight of 346.21 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methylmorpholin-4-yl)-5-iodoaniline is sourced from PubChem (CID 66064888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).