3-benzylmorpholine

C11H15NO — CID 3283983

IUPAC3-benzylmorpholine
SMILESc1ccc(CC2COCCN2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2
InChIKeyLSXCLMMIDIVSFG-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.22
Rot. Bonds2

About 3-benzylmorpholine

3-benzylmorpholine (PubChem CID 3283983) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 3-benzylmorpholine.

Molecular Properties

Compound Name3-benzylmorpholine
PubChem CID3283983
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name3-benzylmorpholine
SMILESc1ccc(CC2COCCN2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2
InChIKeyLSXCLMMIDIVSFG-UHFFFAOYSA-N
XLogP1.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenmetrazine
CID 4762
Phenmetrazine Hydrochloride
CID 92159
2-Phenylmorpholine
CID 91101
3-Methoxymethyl-1,2,3,4-tetrahydro-isoquinoline
CID 10797392
5,5-Dimethyl-2-phenylmorpholine
CID 97711
2-(3-Fluorophenyl)-3-methylmorpholine
CID 54673723
(+/-)-threo-Ritalinol methyl ether
CID 16719668
2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
2-Benzylmorpholine
CID 125510
2-(Morpholin-4-yl)-1-phenylethan-1-amine
CID 2814462
2-(Morpholin-4-yl)-2-phenylethan-1-amine
CID 3158583
1-Methoxy-3-phenylpropan-2-amine
CID 5106602

Frequently Asked Questions

What is the IUPAC name of 3-benzylmorpholine?
The IUPAC name of 3-benzylmorpholine (CID 3283983) is 3-benzylmorpholine.
What is the SMILES notation for 3-benzylmorpholine?
The canonical SMILES for 3-benzylmorpholine is c1ccc(CC2COCCN2)cc1.
What is the InChIKey of 3-benzylmorpholine?
The InChIKey is LSXCLMMIDIVSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-13-7-6-12-11/h1-5,11-12H,6-9H2.
What are the key properties of 3-benzylmorpholine?
3-benzylmorpholine has a molecular weight of 177.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylmorpholine is sourced from PubChem (CID 3283983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).