(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine

C10H20INO2 — CID 155023154

IUPAC(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
SMILESCC(I)OCCCN1CCO[C@@H](C)C1
InChIInChI=1S/C10H20INO2/c1-9-8-12(5-7-13-9)4-3-6-14-10(2)11/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyCJINMDSXCKIGLX-RGURZIINSA-N
MW313.18 g/mol
LogP1.89
Rot. Bonds5

About (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine

(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine (PubChem CID 155023154) has the molecular formula C10H20INO2 and a molecular weight of 313.18 g/mol. Its IUPAC name is (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine.

Molecular Properties

Compound Name(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
PubChem CID155023154
Molecular FormulaC10H20INO2
Molecular Weight313.18 g/mol
Exact Mass313.05
IUPAC Name(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
SMILESCC(I)OCCCN1CCO[C@@H](C)C1
InChIInChI=1S/C10H20INO2/c1-9-8-12(5-7-13-9)4-3-6-14-10(2)11/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1
InChIKeyCJINMDSXCKIGLX-RGURZIINSA-N
XLogP1.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine 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

ethane;ethene;(2S)-4-(3-methoxypropyl)-2-methylmorpholine
CID 154661350
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
N-methylformamide;2-methyl-4-[2-(4-methylpentoxy)ethyl]morpholine;2-methylpropane
CID 155582545
2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
(2S)-4-[(2S)-3-methoxy-2-methylpropyl]-2-methylmorpholine
CID 121401096
ethane;2-methyl-4-(2-methylpropyl)morpholine
CID 156652353
4-(2-bromoethyl)-2-methylmorpholine;hydrobromide
CID 75481844
3-(2-methylmorpholin-4-yl)propane-1-sulfonic acid
CID 118436012
acetic acid;4-butyl-2-methylmorpholine
CID 175198746
2-methyl-4-[2-[1-(3-methylmorpholin-4-yl)propan-2-yloxy]ethyl]morpholine
CID 57083781
1-(2-methylmorpholin-4-yl)propan-2-ol
CID 60886312
6-(2-methyl-1,4-oxazepan-4-yl)hexan-2-amine
CID 62986916

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine?
The IUPAC name of (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine (CID 155023154) is (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine.
What is the SMILES notation for (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine?
The canonical SMILES for (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine is CC(I)OCCCN1CCO[C@@H](C)C1.
What is the InChIKey of (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine?
The InChIKey is CJINMDSXCKIGLX-RGURZIINSA-N. The full InChI is InChI=1S/C10H20INO2/c1-9-8-12(5-7-13-9)4-3-6-14-10(2)11/h9-10H,3-8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine?
(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine has a molecular weight of 313.18 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine is sourced from PubChem (CID 155023154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).