4-[3-(3-propan-2-ylphenoxy)propyl]morpholine

C16H25NO2 — CID 42562888

IUPAC4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
SMILESCC(C)c1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-14(2)15-5-3-6-16(13-15)19-10-4-7-17-8-11-18-12-9-17/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyBNZIWZMGDAAFLO-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.91
Rot. Bonds6

About 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine

4-[3-(3-propan-2-ylphenoxy)propyl]morpholine (PubChem CID 42562888) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
PubChem CID42562888
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
SMILESCC(C)c1cccc(OCCCN2CCOCC2)c1
InChIInChI=1S/C16H25NO2/c1-14(2)15-5-3-6-16(13-15)19-10-4-7-17-8-11-18-12-9-17/h3,5-6,13-14H,4,7-12H2,1-2H3
InChIKeyBNZIWZMGDAAFLO-UHFFFAOYSA-N
XLogP2.91
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.91
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-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
CID 869541
4-[3-(3-iodophenoxy)propyl]morpholine
CID 47520354
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 167535418
1-morpholin-4-yl-3-(3-propan-2-ylphenoxy)propan-2-ol
CID 110877512
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
4-[2-(3-butoxyphenoxy)ethyl]morpholine
CID 2993436
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 176757504
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
ethane;4-[2-(3-methylphenoxy)ethyl]morpholine
CID 143019407
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine (CID 42562888) is 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine is CC(C)c1cccc(OCCCN2CCOCC2)c1.
What is the InChIKey of 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine?
The InChIKey is BNZIWZMGDAAFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-14(2)15-5-3-6-16(13-15)19-10-4-7-17-8-11-18-12-9-17/h3,5-6,13-14H,4,7-12H2,1-2H3.
What are the key properties of 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine?
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine has a molecular weight of 263.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-propan-2-ylphenoxy)propyl]morpholine is sourced from PubChem (CID 42562888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).