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

C17H18Cl2N2O2 — CID 127030612

IUPAC(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
SMILESClc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1
InChIInChI=1S/C17H18Cl2N2O2/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
InChIKeyUFMUMDXPAMWLIC-HNNXBMFYSA-N
MW353.25 g/mol
LogP3.67
Rot. Bonds5

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

(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine (PubChem CID 127030612) has the molecular formula C17H18Cl2N2O2 and a molecular weight of 353.25 g/mol. Its IUPAC name is (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine.

Molecular Properties

Compound Name(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
PubChem CID127030612
Molecular FormulaC17H18Cl2N2O2
Molecular Weight353.25 g/mol
Exact Mass352.07
IUPAC Name(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine
SMILESClc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1
InChIInChI=1S/C17H18Cl2N2O2/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
InChIKeyUFMUMDXPAMWLIC-HNNXBMFYSA-N
XLogP3.67
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 53.67
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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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The IUPAC name of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine (CID 127030612) is (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine.
What is the SMILES notation for (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The canonical SMILES for (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine is Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1.
What is the InChIKey of (2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine?
The InChIKey is UFMUMDXPAMWLIC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H18Cl2N2O2/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-chloro-2-pyridinyl)oxymethyl]morpholine?
(2S)-4-[(4-chlorophenyl)methyl]-2-[(6-chloro-2-pyridinyl)oxymethyl]morpholine has a molecular weight of 353.25 g/mol, XLogP of 3.67, 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-chloro-2-pyridinyl)oxymethyl]morpholine is sourced from PubChem (CID 127030612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).