4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium

C17H28NO3+ — CID 7379563

IUPAC4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
SMILESCC[C@H](C)Oc1cccc(OCCC[NH+]2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-3-15(2)21-17-7-4-6-16(14-17)20-11-5-8-18-9-12-19-13-10-18/h4,6-7,14-15H,3,5,8-13H2,1-2H3/p+1/t15-/m0/s1
InChIKeyJROVYETUTVLBOS-HNNXBMFYSA-O
MW294.41 g/mol
LogP1.55
Rot. Bonds8

About 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium

4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium (PubChem CID 7379563) has the molecular formula C17H28NO3+ and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium.

Molecular Properties

Compound Name4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
PubChem CID7379563
Molecular FormulaC17H28NO3+
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium
SMILESCC[C@H](C)Oc1cccc(OCCC[NH+]2CCOCC2)c1
InChIInChI=1S/C17H27NO3/c1-3-15(2)21-17-7-4-6-16(14-17)20-11-5-8-18-9-12-19-13-10-18/h4,6-7,14-15H,3,5,8-13H2,1-2H3/p+1/t15-/m0/s1
InChIKeyJROVYETUTVLBOS-HNNXBMFYSA-O
XLogP1.55
TPSA32.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium 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

4-[3-(3-chlorophenoxy)propyl]morpholin-4-ium chloride
CID 110175302
1-[3-(3-butan-2-yloxyphenoxy)propyl]-4-methylpiperazine;hydrochloride
CID 2994067
4-[2-[2-(3-bromophenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2296505
4-[2-(3-chlorophenoxy)ethyl]morpholin-4-ium;2-hydroxy-2-oxoacetate
CID 44657389
1-[5-(3-methoxyphenoxy)pentyl]pyrrolidin-1-ium
CID 2232738
4-[4-[4-[(2S,3R)-4-[3,4-bis(4-morpholin-4-ium-4-ylbutoxy)phenyl]-2,3-dimethylbutyl]-2-(4-morpholin-4-ium-4-ylbutoxy)phenoxy]butyl]morpholin-4-ium
CID 59159885
(3-ethoxyphenyl)methyl-(2-morpholin-4-ium-4-ylethyl)azanium
CID 7248498
(2R,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379890
(2S,6S)-2,6-dimethyl-4-[2-(3-propan-2-yloxyphenoxy)ethyl]morpholin-4-ium
CID 7379892
(2S)-1-(3-methoxyphenoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 6940086
3-(3-pyrrolidin-1-ium-1-ylpropoxy)benzoate
CID 40801723
4-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]morpholin-4-ium
CID 2298140

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium?
The IUPAC name of 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium (CID 7379563) is 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium.
What is the SMILES notation for 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium?
The canonical SMILES for 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium is CC[C@H](C)Oc1cccc(OCCC[NH+]2CCOCC2)c1.
What is the InChIKey of 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium?
The InChIKey is JROVYETUTVLBOS-HNNXBMFYSA-O. The full InChI is InChI=1S/C17H27NO3/c1-3-15(2)21-17-7-4-6-16(14-17)20-11-5-8-18-9-12-19-13-10-18/h4,6-7,14-15H,3,5,8-13H2,1-2H3/p+1/t15-/m0/s1.
What are the key properties of 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium?
4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium has a molecular weight of 294.41 g/mol, XLogP of 1.55, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(2S)-butan-2-yl]oxyphenoxy]propyl]morpholin-4-ium is sourced from PubChem (CID 7379563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).