(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine

C17H18ClFN2O2 — CID 127028182

IUPAC(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
SMILESFc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)10-21-8-9-22-15(11-21)12-23-17-3-1-2-16(19)20-17/h1-7,15H,8-12H2/t15-/m0/s1
InChIKeyVNUGLZSCQHXFIM-HNNXBMFYSA-N
MW336.79 g/mol
LogP3.15
Rot. Bonds5

About (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine

(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine (PubChem CID 127028182) has the molecular formula C17H18ClFN2O2 and a molecular weight of 336.79 g/mol. Its IUPAC name is (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
PubChem CID127028182
Molecular FormulaC17H18ClFN2O2
Molecular Weight336.79 g/mol
Exact Mass336.10
IUPAC Name(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine
SMILESFc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1
InChIInChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)10-21-8-9-22-15(11-21)12-23-17-3-1-2-16(19)20-17/h1-7,15H,8-12H2/t15-/m0/s1
InChIKeyVNUGLZSCQHXFIM-HNNXBMFYSA-N
XLogP3.15
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2R)-4-[(4-fluorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 92984963
(2S)-4-[(3,4-dichlorophenyl)methyl]-2-(phenoxymethyl)morpholine
CID 127031497
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
(2R)-4-benzyl-2-[(2-bromophenoxy)methyl]morpholine
CID 99979793
2-[[4-[(4-chlorophenyl)methyl]morpholin-2-yl]methyl]isoindole-1,3-dione
CID 18933330
2-[(5-chloro-2-pyridinyl)oxymethyl]-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 3742287
2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 46041237
(2S)-2-[(2-methoxyphenoxy)methyl]-4-[(4-methylphenyl)methyl]morpholine
CID 92984994
2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane
CID 11338828
2-[(6-chloro-2-pyridinyl)oxymethyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]morpholine-4-carboxamide
CID 87678799
4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(naphthalen-2-yloxymethyl)morpholine
CID 10225899
2-(bromomethyl)-4-[(2-chloro-3-fluorophenyl)methyl]morpholine
CID 112654433

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine?
The IUPAC name of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine (CID 127028182) is (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine.
What is the SMILES notation for (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine?
The canonical SMILES for (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine is Fc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1.
What is the InChIKey of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine?
The InChIKey is VNUGLZSCQHXFIM-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18ClFN2O2/c18-14-6-4-13(5-7-14)10-21-8-9-22-15(11-21)12-23-17-3-1-2-16(19)20-17/h1-7,15H,8-12H2/t15-/m0/s1.
What are the key properties of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine?
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine has a molecular weight of 336.79 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-fluoro-2-pyridinyl)oxymethyl]morpholine is sourced from PubChem (CID 127028182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).