4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine

C17H27NO2 — CID 2299717

IUPAC4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
SMILESCC[C@H](C)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-15(2)16-5-7-17(8-6-16)20-12-4-9-18-10-13-19-14-11-18/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyRLOQGRITVGJCOP-HNNXBMFYSA-N
MW277.41 g/mol
LogP3.30
Rot. Bonds7

About 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine

4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine (PubChem CID 2299717) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
PubChem CID2299717
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
SMILESCC[C@H](C)c1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO2/c1-3-15(2)16-5-7-17(8-6-16)20-12-4-9-18-10-13-19-14-11-18/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1
InChIKeyRLOQGRITVGJCOP-HNNXBMFYSA-N
XLogP3.30
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-butan-2-ylphenoxy)propyl]piperidine;methane
CID 161298234
4-[3-(4-methoxyphenoxy)propyl]morpholine
CID 2053845
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
4-[2-(4-butan-2-ylphenyl)sulfanylethyl]morpholine;ethane
CID 143457208
1-(4-butoxyphenyl)-3-morpholin-4-ylpropan-1-ol
CID 82073802
N-ethyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]propan-1-amine
CID 60888208
4-[2-[4-[1-(4-chlorophenyl)ethyl]phenoxy]ethyl]morpholine
CID 58923289
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
4-(3-morpholin-4-ylpropoxy)benzonitrile
CID 2993836
[4-(3-morpholin-4-ylpropoxy)phenyl]boronic acid
CID 67361956
1-[2-(4-butan-2-ylphenoxy)ethyl]piperidine;oxalic acid
CID 2923057
4-[3-(5-butan-2-yl-2-methoxyphenyl)propyl]morpholine
CID 170870505

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine?
The IUPAC name of 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine (CID 2299717) is 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine.
What is the SMILES notation for 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine?
The canonical SMILES for 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine is CC[C@H](C)c1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine?
The InChIKey is RLOQGRITVGJCOP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-15(2)16-5-7-17(8-6-16)20-12-4-9-18-10-13-19-14-11-18/h5-8,15H,3-4,9-14H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine?
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine has a molecular weight of 277.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine is sourced from PubChem (CID 2299717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).