4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride

C19H24ClNO2 — CID 2995980

IUPAC4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO2.ClH/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20;/h1-9H,10-16H2;1H
InChIKeyZZXCIMQZNSUTHZ-UHFFFAOYSA-N
MW333.86 g/mol
LogP3.41
Rot. Bonds6

About 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride

4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride (PubChem CID 2995980) has the molecular formula C19H24ClNO2 and a molecular weight of 333.86 g/mol. Its IUPAC name is 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride
PubChem CID2995980
Molecular FormulaC19H24ClNO2
Molecular Weight333.86 g/mol
Exact Mass333.15
IUPAC Name4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride
SMILESCl.c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1
InChIInChI=1S/C19H23NO2.ClH/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20;/h1-9H,10-16H2;1H
InChIKeyZZXCIMQZNSUTHZ-UHFFFAOYSA-N
XLogP3.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride?
The IUPAC name of 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride (CID 2995980) is 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride.
What is the SMILES notation for 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride?
The canonical SMILES for 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride is Cl.c1ccc(Cc2ccc(OCCN3CCOCC3)cc2)cc1.
What is the InChIKey of 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride?
The InChIKey is ZZXCIMQZNSUTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2.ClH/c1-2-4-17(5-3-1)16-18-6-8-19(9-7-18)22-15-12-20-10-13-21-14-11-20;/h1-9H,10-16H2;1H.
What are the key properties of 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride?
4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-benzylphenoxy)ethyl]morpholine;hydrochloride is sourced from PubChem (CID 2995980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).