4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride

C17H28ClNO3 — CID 2994701

IUPAC4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
SMILESCCCOc1ccccc1OCCCCN1CCOCC1.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-2-12-20-16-7-3-4-8-17(16)21-13-6-5-9-18-10-14-19-15-11-18;/h3-4,7-8H,2,5-6,9-15H2,1H3;1H
InChIKeyTWBKJGGXCLLYES-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.39
Rot. Bonds9

About 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride

4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride (PubChem CID 2994701) has the molecular formula C17H28ClNO3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
PubChem CID2994701
Molecular FormulaC17H28ClNO3
Molecular Weight329.87 g/mol
Exact Mass329.18
IUPAC Name4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
SMILESCCCOc1ccccc1OCCCCN1CCOCC1.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-2-12-20-16-7-3-4-8-17(16)21-13-6-5-9-18-10-14-19-15-11-18;/h3-4,7-8H,2,5-6,9-15H2,1H3;1H
InChIKeyTWBKJGGXCLLYES-UHFFFAOYSA-N
XLogP3.39
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.39
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

4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
CID 2994248
2-butoxy-N-(2-morpholin-4-ylethyl)aniline
CID 54806988
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
CID 2993564
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-(3-morpholin-4-ylpropoxy)-5-propoxy-9H-fluorene-9-carbaldehyde
CID 174370895
N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride
CID 18520283
N,N-dimethyl-2-(2-morpholin-4-ylethoxy)aniline
CID 147491623

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride (CID 2994701) is 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride is CCCOc1ccccc1OCCCCN1CCOCC1.Cl.
What is the InChIKey of 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride?
The InChIKey is TWBKJGGXCLLYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.ClH/c1-2-12-20-16-7-3-4-8-17(16)21-13-6-5-9-18-10-14-19-15-11-18;/h3-4,7-8H,2,5-6,9-15H2,1H3;1H.
What are the key properties of 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride?
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 3.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride is sourced from PubChem (CID 2994701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).