[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone

C13H17IN2O2 — CID 81484348

IUPAC[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc(I)cc2)CCO1
InChIInChI=1S/C13H17IN2O2/c1-9(15)12-8-16(6-7-18-12)13(17)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8,15H2,1H3
InChIKeyYZOGYTUEQLQQST-UHFFFAOYSA-N
MW360.20 g/mol
LogP1.48
Rot. Bonds2

About [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone

[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone (PubChem CID 81484348) has the molecular formula C13H17IN2O2 and a molecular weight of 360.20 g/mol. Its IUPAC name is [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone.

Molecular Properties

Compound Name[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
PubChem CID81484348
Molecular FormulaC13H17IN2O2
Molecular Weight360.20 g/mol
Exact Mass360.03
IUPAC Name[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone
SMILESCC(N)C1CN(C(=O)c2ccc(I)cc2)CCO1
InChIInChI=1S/C13H17IN2O2/c1-9(15)12-8-16(6-7-18-12)13(17)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8,15H2,1H3
InChIKeyYZOGYTUEQLQQST-UHFFFAOYSA-N
XLogP1.48
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)morpholin-4-yl]-pyridin-4-ylmethanone
CID 81484704
[2-(1-aminoethyl)morpholin-4-yl]-(4-methoxyphenyl)methanone
CID 81484356
[2-(1-aminoethyl)morpholin-4-yl]-naphthalen-2-ylmethanone
CID 81485463
[2-(1-aminoethyl)morpholin-4-yl]-(3,5-difluorophenyl)methanone
CID 81483994
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 81424177
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-4-methoxyphenyl)methanone
CID 81484800
[2-(1-aminoethyl)morpholin-4-yl]-(5-bromo-2-iodophenyl)methanone
CID 103807808
[2-(1-aminoethyl)morpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81487374
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
[2-(1-aminoethyl)morpholin-4-yl]-(3-bromo-5-chlorophenyl)methanone
CID 107940173
[3-(1-aminoethyl)piperidin-1-yl]-(4-iodophenyl)methanone;hydrochloride
CID 119592641
[2-(1-aminoethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81485136

Frequently Asked Questions

What is the IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone?
The IUPAC name of [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone (CID 81484348) is [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone.
What is the SMILES notation for [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone?
The canonical SMILES for [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone is CC(N)C1CN(C(=O)c2ccc(I)cc2)CCO1.
What is the InChIKey of [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone?
The InChIKey is YZOGYTUEQLQQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17IN2O2/c1-9(15)12-8-16(6-7-18-12)13(17)10-2-4-11(14)5-3-10/h2-5,9,12H,6-8,15H2,1H3.
What are the key properties of [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone?
[2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone has a molecular weight of 360.20 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-aminoethyl)morpholin-4-yl]-(4-iodophenyl)methanone is sourced from PubChem (CID 81484348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).