2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride

C14H20ClNO — CID 174869430

IUPAC2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride
SMILESC=CC1NCCOC1(C)Cc1ccccc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-3-13-14(2,16-10-9-15-13)11-12-7-5-4-6-8-12;/h3-8,13,15H,1,9-11H2,2H3;1H
InChIKeyAXNNMKMYEBAOTA-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.58
Rot. Bonds3

About 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride

2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride (PubChem CID 174869430) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride.

Molecular Properties

Compound Name2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride
PubChem CID174869430
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride
SMILESC=CC1NCCOC1(C)Cc1ccccc1.Cl
InChIInChI=1S/C14H19NO.ClH/c1-3-13-14(2,16-10-9-15-13)11-12-7-5-4-6-8-12;/h3-8,13,15H,1,9-11H2,2H3;1H
InChIKeyAXNNMKMYEBAOTA-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride?
The IUPAC name of 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride (CID 174869430) is 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride.
What is the SMILES notation for 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride?
The canonical SMILES for 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride is C=CC1NCCOC1(C)Cc1ccccc1.Cl.
What is the InChIKey of 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride?
The InChIKey is AXNNMKMYEBAOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-3-13-14(2,16-10-9-15-13)11-12-7-5-4-6-8-12;/h3-8,13,15H,1,9-11H2,2H3;1H.
What are the key properties of 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride?
2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-ethenyl-2-methylmorpholine;hydrochloride is sourced from PubChem (CID 174869430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).