4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride

C17H28ClNO3 — CID 2994248

IUPAC4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
SMILESCCC(C)Oc1ccccc1OCCCN1CCOCC1.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-3-15(2)21-17-8-5-4-7-16(17)20-12-6-9-18-10-13-19-14-11-18;/h4-5,7-8,15H,3,6,9-14H2,1-2H3;1H
InChIKeyDTPOTAQKTZLXLU-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.39
Rot. Bonds8

About 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride

4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride (PubChem CID 2994248) has the molecular formula C17H28ClNO3 and a molecular weight of 329.87 g/mol. Its IUPAC name is 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
PubChem CID2994248
Molecular FormulaC17H28ClNO3
Molecular Weight329.87 g/mol
Exact Mass329.18
IUPAC Name4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride
SMILESCCC(C)Oc1ccccc1OCCCN1CCOCC1.Cl
InChIInChI=1S/C17H27NO3.ClH/c1-3-15(2)21-17-8-5-4-7-16(17)20-12-6-9-18-10-13-19-14-11-18;/h4-5,7-8,15H,3,6,9-14H2,1-2H3;1H
InChIKeyDTPOTAQKTZLXLU-UHFFFAOYSA-N
XLogP3.39
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
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-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[2-[2-(2-butan-2-ylphenoxy)ethoxy]ethyl]morpholine
CID 2923927
2-(4-morpholin-4-ylbutan-2-yloxy)aniline
CID 82036952
4-[6-(2-methylphenoxy)hexyl]morpholine
CID 5114307
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
4-[3-[4-[(2S)-butan-2-yl]phenoxy]propyl]morpholine
CID 2299717
(1S)-1-[2-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 78936484
(1R)-1-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanol
CID 63364786

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride?
The IUPAC name of 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride (CID 2994248) is 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride?
The canonical SMILES for 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride is CCC(C)Oc1ccccc1OCCCN1CCOCC1.Cl.
What is the InChIKey of 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride?
The InChIKey is DTPOTAQKTZLXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3.ClH/c1-3-15(2)21-17-8-5-4-7-16(17)20-12-6-9-18-10-13-19-14-11-18;/h4-5,7-8,15H,3,6,9-14H2,1-2H3;1H.
What are the key properties of 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride?
4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 3.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-butan-2-yloxyphenoxy)propyl]morpholine;hydrochloride is sourced from PubChem (CID 2994248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).