4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride

C15H24ClNO3 — CID 16681971

IUPAC4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride
SMILESCCCOc1ccc(CN2CCOCC2)cc1OC.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-3-8-19-14-5-4-13(11-15(14)17-2)12-16-6-9-18-10-7-16;/h4-5,11H,3,6-10,12H2,1-2H3;1H
InChIKeyYNFMLTKUMIRJPQ-UHFFFAOYSA-N
MW301.81 g/mol
LogP2.74
Rot. Bonds6

About 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride

4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride (PubChem CID 16681971) has the molecular formula C15H24ClNO3 and a molecular weight of 301.81 g/mol. Its IUPAC name is 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride
PubChem CID16681971
Molecular FormulaC15H24ClNO3
Molecular Weight301.81 g/mol
Exact Mass301.14
IUPAC Name4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride
SMILESCCCOc1ccc(CN2CCOCC2)cc1OC.Cl
InChIInChI=1S/C15H23NO3.ClH/c1-3-8-19-14-5-4-13(11-15(14)17-2)12-16-6-9-18-10-7-16;/h4-5,11H,3,6-10,12H2,1-2H3;1H
InChIKeyYNFMLTKUMIRJPQ-UHFFFAOYSA-N
XLogP2.74
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.81
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Carnegine
CID 22646
4-[(3,4-Dimethoxyphenyl)methyl]morpholine
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CID 9835304
4-(4-((1-Isopropylpiperidin-4-yl)oxy)benzyl)morpholine
CID 9858195
4-[[4-(3-Piperidin-1-ylpropoxy)phenyl]methyl]morpholine
CID 9880039
3-[4-methoxy-3-(2-phenylethoxy)phenyl]-N,N-dipropylpropan-1-amine;hydrochloride
CID 18986839
N-[2-[3-[2-(4-fluorophenyl)ethoxy]-4-methoxyphenyl]ethyl]-N-propylpropan-1-amine;hydrochloride
CID 18986856

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride?
The IUPAC name of 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride (CID 16681971) is 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride?
The canonical SMILES for 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride is CCCOc1ccc(CN2CCOCC2)cc1OC.Cl.
What is the InChIKey of 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride?
The InChIKey is YNFMLTKUMIRJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3.ClH/c1-3-8-19-14-5-4-13(11-15(14)17-2)12-16-6-9-18-10-7-16;/h4-5,11H,3,6-10,12H2,1-2H3;1H.
What are the key properties of 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride?
4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride has a molecular weight of 301.81 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxy-4-propoxyphenyl)methyl]morpholine;hydrochloride is sourced from PubChem (CID 16681971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).