4-[3-(4-butoxyphenoxy)propyl]morpholine

C17H27NO3 — CID 4886

IUPAC4-[3-(4-butoxyphenoxy)propyl]morpholine
SMILESCCCCOc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKeyDQKXQSGTHWVTAD-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.97
Rot. Bonds9

About 4-[3-(4-butoxyphenoxy)propyl]morpholine

4-[3-(4-butoxyphenoxy)propyl]morpholine (PubChem CID 4886) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 4-[3-(4-butoxyphenoxy)propyl]morpholine.

Molecular Properties

Compound Name4-[3-(4-butoxyphenoxy)propyl]morpholine
PubChem CID4886
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name4-[3-(4-butoxyphenoxy)propyl]morpholine
SMILESCCCCOc1ccc(OCCCN2CCOCC2)cc1
InChIInChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3
InChIKeyDQKXQSGTHWVTAD-UHFFFAOYSA-N
XLogP2.97
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Viloxazine
CID 5666
Domiphen Bromide
CID 10866
Pramoxine Hydrochloride
CID 73957
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CID 36109
N,N-Dimethyl-N-(2-phenoxyethyl)-1-dodecanaminium
CID 3149
Guaiactamine
CID 36190
1-(4-Phenoxybutyl)piperidine
CID 2057411
(2-Dimethylaminoethoxy)benzene
CID 26050
Guaiapate
CID 70066
(S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293599
(R)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 29293603
(R/S)-2-((4-phenoxyphenoxy)methyl)piperidine
CID 45253769

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-butoxyphenoxy)propyl]morpholine?
The IUPAC name of 4-[3-(4-butoxyphenoxy)propyl]morpholine (CID 4886) is 4-[3-(4-butoxyphenoxy)propyl]morpholine.
What is the SMILES notation for 4-[3-(4-butoxyphenoxy)propyl]morpholine?
The canonical SMILES for 4-[3-(4-butoxyphenoxy)propyl]morpholine is CCCCOc1ccc(OCCCN2CCOCC2)cc1.
What is the InChIKey of 4-[3-(4-butoxyphenoxy)propyl]morpholine?
The InChIKey is DQKXQSGTHWVTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-12-20-16-5-7-17(8-6-16)21-13-4-9-18-10-14-19-15-11-18/h5-8H,2-4,9-15H2,1H3.
What are the key properties of 4-[3-(4-butoxyphenoxy)propyl]morpholine?
4-[3-(4-butoxyphenoxy)propyl]morpholine has a molecular weight of 293.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-butoxyphenoxy)propyl]morpholine is sourced from PubChem (CID 4886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).