4-benzyl-2-phenylmethoxymorpholine;hydrochloride

C18H22ClNO2 — CID 3021422

IUPAC4-benzyl-2-phenylmethoxymorpholine;hydrochloride
SMILESCl.c1ccc(COC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C18H21NO2.ClH/c1-3-7-16(8-4-1)13-19-11-12-20-18(14-19)21-15-17-9-5-2-6-10-17;/h1-10,18H,11-15H2;1H
InChIKeyBXJGIDIECJVHQP-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.48
Rot. Bonds5

About 4-benzyl-2-phenylmethoxymorpholine;hydrochloride

4-benzyl-2-phenylmethoxymorpholine;hydrochloride (PubChem CID 3021422) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 4-benzyl-2-phenylmethoxymorpholine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-phenylmethoxymorpholine;hydrochloride
PubChem CID3021422
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name4-benzyl-2-phenylmethoxymorpholine;hydrochloride
SMILESCl.c1ccc(COC2CN(Cc3ccccc3)CCO2)cc1
InChIInChI=1S/C18H21NO2.ClH/c1-3-7-16(8-4-1)13-19-11-12-20-18(14-19)21-15-17-9-5-2-6-10-17;/h1-10,18H,11-15H2;1H
InChIKeyBXJGIDIECJVHQP-UHFFFAOYSA-N
XLogP3.48
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-phenylmethoxymorpholine;hydrochloride?
The IUPAC name of 4-benzyl-2-phenylmethoxymorpholine;hydrochloride (CID 3021422) is 4-benzyl-2-phenylmethoxymorpholine;hydrochloride.
What is the SMILES notation for 4-benzyl-2-phenylmethoxymorpholine;hydrochloride?
The canonical SMILES for 4-benzyl-2-phenylmethoxymorpholine;hydrochloride is Cl.c1ccc(COC2CN(Cc3ccccc3)CCO2)cc1.
What is the InChIKey of 4-benzyl-2-phenylmethoxymorpholine;hydrochloride?
The InChIKey is BXJGIDIECJVHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-3-7-16(8-4-1)13-19-11-12-20-18(14-19)21-15-17-9-5-2-6-10-17;/h1-10,18H,11-15H2;1H.
What are the key properties of 4-benzyl-2-phenylmethoxymorpholine;hydrochloride?
4-benzyl-2-phenylmethoxymorpholine;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-phenylmethoxymorpholine;hydrochloride is sourced from PubChem (CID 3021422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).