4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride

C18H30ClNO3 — CID 2993564

IUPAC4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
SMILESCCCc1ccc(OCCCCN2CCOCC2)c(OC)c1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-3-6-16-7-8-17(18(15-16)20-2)22-12-5-4-9-19-10-13-21-14-11-19;/h7-8,15H,3-6,9-14H2,1-2H3;1H
InChIKeyGGYXKCNGGOLFFT-UHFFFAOYSA-N
MW343.90 g/mol
LogP3.56
Rot. Bonds9

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

4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride (PubChem CID 2993564) has the molecular formula C18H30ClNO3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
PubChem CID2993564
Molecular FormulaC18H30ClNO3
Molecular Weight343.90 g/mol
Exact Mass343.19
IUPAC Name4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride
SMILESCCCc1ccc(OCCCCN2CCOCC2)c(OC)c1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-3-6-16-7-8-17(18(15-16)20-2)22-12-5-4-9-19-10-13-21-14-11-19;/h7-8,15H,3-6,9-14H2,1-2H3;1H
InChIKeyGGYXKCNGGOLFFT-UHFFFAOYSA-N
XLogP3.56
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 53.56
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-[3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propyl]morpholine
CID 170870265
4-[3-[4-(3-chloropropoxy)-3-methoxyphenyl]propyl]morpholine
CID 170869317
4-[2-[2-methoxy-5-[3-(4-methylpiperazin-1-yl)propyl]phenoxy]ethyl]morpholine
CID 170863583
4-[3-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]propyl]morpholine
CID 170870151
4-[2-[3-[(2-methoxy-4-propylphenoxy)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine;hydrochloride
CID 134119232
4-[4-(2-propoxyphenoxy)butyl]morpholine;hydrochloride
CID 2994701
4-[4-(2-butoxyphenoxy)butyl]morpholine;hydrochloride
CID 2993517
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propyl]morpholine
CID 170870238
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562
2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]ethanamine
CID 22687397
1-ethyl-2-[(3-methoxy-4-propoxyphenyl)methyl]-3-(3-morpholin-4-ylpropyl)guanidine
CID 110971475
N-[(4-ethoxy-3-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 3160557

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride?
The IUPAC name of 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride (CID 2993564) is 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride?
The canonical SMILES for 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride is CCCc1ccc(OCCCCN2CCOCC2)c(OC)c1.Cl.
What is the InChIKey of 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride?
The InChIKey is GGYXKCNGGOLFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.ClH/c1-3-6-16-7-8-17(18(15-16)20-2)22-12-5-4-9-19-10-13-21-14-11-19;/h7-8,15H,3-6,9-14H2,1-2H3;1H.
What are the key properties of 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride?
4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 3.56, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxy-4-propylphenoxy)butyl]morpholine;hydrochloride is sourced from PubChem (CID 2993564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).