4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride

C19H23Cl2NO — CID 3066048

IUPAC4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
SMILESCCC1(c2ccc(Cl)cc2)CN(Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C19H22ClNO.ClH/c1-2-19(17-8-10-18(20)11-9-17)15-21(12-13-22-19)14-16-6-4-3-5-7-16;/h3-11H,2,12-15H2,1H3;1H
InChIKeyUOUNVZMNPKWZCQ-UHFFFAOYSA-N
MW352.31 g/mol
LogP4.90
Rot. Bonds4

About 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride

4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride (PubChem CID 3066048) has the molecular formula C19H23Cl2NO and a molecular weight of 352.31 g/mol. Its IUPAC name is 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
PubChem CID3066048
Molecular FormulaC19H23Cl2NO
Molecular Weight352.31 g/mol
Exact Mass351.12
IUPAC Name4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride
SMILESCCC1(c2ccc(Cl)cc2)CN(Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C19H22ClNO.ClH/c1-2-19(17-8-10-18(20)11-9-17)15-21(12-13-22-19)14-16-6-4-3-5-7-16;/h3-11H,2,12-15H2,1H3;1H
InChIKeyUOUNVZMNPKWZCQ-UHFFFAOYSA-N
XLogP4.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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ML398
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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The IUPAC name of 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride (CID 3066048) is 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride.
What is the SMILES notation for 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The canonical SMILES for 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride is CCC1(c2ccc(Cl)cc2)CN(Cc2ccccc2)CCO1.Cl.
What is the InChIKey of 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
The InChIKey is UOUNVZMNPKWZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO.ClH/c1-2-19(17-8-10-18(20)11-9-17)15-21(12-13-22-19)14-16-6-4-3-5-7-16;/h3-11H,2,12-15H2,1H3;1H.
What are the key properties of 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride?
4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride has a molecular weight of 352.31 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine;hydrochloride is sourced from PubChem (CID 3066048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).