4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride

C18H21BrClNO — CID 3066060

IUPAC4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride
SMILESCC1(c2ccc(Br)cc2)CN(Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C18H20BrNO.ClH/c1-18(16-7-9-17(19)10-8-16)14-20(11-12-21-18)13-15-5-3-2-4-6-15;/h2-10H,11-14H2,1H3;1H
InChIKeyBXEXRDLMKOBPBD-UHFFFAOYSA-N
MW382.73 g/mol
LogP4.62
Rot. Bonds3

About 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride

4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride (PubChem CID 3066060) has the molecular formula C18H21BrClNO and a molecular weight of 382.73 g/mol. Its IUPAC name is 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride
PubChem CID3066060
Molecular FormulaC18H21BrClNO
Molecular Weight382.73 g/mol
Exact Mass381.05
IUPAC Name4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride
SMILESCC1(c2ccc(Br)cc2)CN(Cc2ccccc2)CCO1.Cl
InChIInChI=1S/C18H20BrNO.ClH/c1-18(16-7-9-17(19)10-8-16)14-20(11-12-21-18)13-15-5-3-2-4-6-15;/h2-10H,11-14H2,1H3;1H
InChIKeyBXEXRDLMKOBPBD-UHFFFAOYSA-N
XLogP4.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.73
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride?
The IUPAC name of 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride (CID 3066060) is 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride.
What is the SMILES notation for 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride?
The canonical SMILES for 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride is CC1(c2ccc(Br)cc2)CN(Cc2ccccc2)CCO1.Cl.
What is the InChIKey of 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride?
The InChIKey is BXEXRDLMKOBPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO.ClH/c1-18(16-7-9-17(19)10-8-16)14-20(11-12-21-18)13-15-5-3-2-4-6-15;/h2-10H,11-14H2,1H3;1H.
What are the key properties of 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride?
4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride has a molecular weight of 382.73 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-(4-bromophenyl)-2-methylmorpholine;hydrochloride is sourced from PubChem (CID 3066060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).