(2S)-2-benzylmorpholine

C11H15NO — CID 22868801

IUPAC(2S)-2-benzylmorpholine
SMILESc1ccc(C[C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2/t11-/m0/s1
InChIKeyYZFCMGWCEXUGFX-NSHDSACASA-N
MW177.25 g/mol
LogP1.22
Rot. Bonds2

About (2S)-2-benzylmorpholine

(2S)-2-benzylmorpholine (PubChem CID 22868801) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S)-2-benzylmorpholine.

Molecular Properties

Compound Name(2S)-2-benzylmorpholine
PubChem CID22868801
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S)-2-benzylmorpholine
SMILESc1ccc(C[C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2/t11-/m0/s1
InChIKeyYZFCMGWCEXUGFX-NSHDSACASA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylmorpholine?
The IUPAC name of (2S)-2-benzylmorpholine (CID 22868801) is (2S)-2-benzylmorpholine.
What is the SMILES notation for (2S)-2-benzylmorpholine?
The canonical SMILES for (2S)-2-benzylmorpholine is c1ccc(C[C@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-benzylmorpholine?
The InChIKey is YZFCMGWCEXUGFX-NSHDSACASA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11/h1-5,11-12H,6-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-benzylmorpholine?
(2S)-2-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 (2S)-2-benzylmorpholine is sourced from PubChem (CID 22868801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).