(2S)-2-benzylmorpholine;hydrochloride

C11H16ClNO — CID 166597432

IUPAC(2S)-2-benzylmorpholine;hydrochloride
SMILESCl.c1ccc(C[C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChIKeyDGLIPFPULQKWIQ-MERQFXBCSA-N
MW213.71 g/mol
LogP1.64
Rot. Bonds2

About (2S)-2-benzylmorpholine;hydrochloride

(2S)-2-benzylmorpholine;hydrochloride (PubChem CID 166597432) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is (2S)-2-benzylmorpholine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-benzylmorpholine;hydrochloride
PubChem CID166597432
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name(2S)-2-benzylmorpholine;hydrochloride
SMILESCl.c1ccc(C[C@H]2CNCCO2)cc1
InChIInChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
InChIKeyDGLIPFPULQKWIQ-MERQFXBCSA-N
XLogP1.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzylmorpholine;hydrochloride?
The IUPAC name of (2S)-2-benzylmorpholine;hydrochloride (CID 166597432) is (2S)-2-benzylmorpholine;hydrochloride.
What is the SMILES notation for (2S)-2-benzylmorpholine;hydrochloride?
The canonical SMILES for (2S)-2-benzylmorpholine;hydrochloride is Cl.c1ccc(C[C@H]2CNCCO2)cc1.
What is the InChIKey of (2S)-2-benzylmorpholine;hydrochloride?
The InChIKey is DGLIPFPULQKWIQ-MERQFXBCSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)8-11-9-12-6-7-13-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1.
What are the key properties of (2S)-2-benzylmorpholine;hydrochloride?
(2S)-2-benzylmorpholine;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzylmorpholine;hydrochloride is sourced from PubChem (CID 166597432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).