(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine

C18H21ClN2O2 — CID 147052117

IUPAC(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
SMILESCCOc1cc(Cc2ccc([C@H]3CNCCO3)cc2)cnc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-2-22-16-10-14(11-21-18(16)19)9-13-3-5-15(6-4-13)17-12-20-7-8-23-17/h3-6,10-11,17,20H,2,7-9,12H2,1H3/t17-/m1/s1
InChIKeyBBNAULUDWJMXJB-QGZVFWFLSA-N
MW332.83 g/mol
LogP3.39
Rot. Bonds5

About (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine

(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine (PubChem CID 147052117) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
PubChem CID147052117
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine
SMILESCCOc1cc(Cc2ccc([C@H]3CNCCO3)cc2)cnc1Cl
InChIInChI=1S/C18H21ClN2O2/c1-2-22-16-10-14(11-21-18(16)19)9-13-3-5-15(6-4-13)17-12-20-7-8-23-17/h3-6,10-11,17,20H,2,7-9,12H2,1H3/t17-/m1/s1
InChIKeyBBNAULUDWJMXJB-QGZVFWFLSA-N
XLogP3.39
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]morpholine
CID 147724595
(2S)-2-[4-[(5-ethoxypyrimidin-2-yl)methyl]phenyl]morpholine
CID 161245616
2-(3-chloro-4-ethoxyphenyl)morpholine
CID 82293187
(2R)-2-[4-[(6-chloropyrimidin-4-yl)methyl]phenyl]morpholine
CID 161143915
5-chloro-N-[4-[(2S)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-chloro-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine;5-ethoxy-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 158155601
(2S)-2-[4-[(6-chloroquinolin-2-yl)methyl]phenyl]morpholine
CID 158805373
(2S)-2-[4-[(6-chloroquinazolin-4-yl)methyl]phenyl]morpholine
CID 159619317
2-(4-ethoxy-2,5-dimethylphenyl)morpholine
CID 82116655
2-[4-[(5-ethoxypyrimidin-2-yl)methyl]-3-fluorophenyl]morpholine
CID 157218899
1-(4-ethoxyphenyl)-2-[4-[(2S)-morpholin-2-yl]phenyl]ethanone
CID 58315606
2-[(3,4-diethoxyphenyl)methyl]morpholine
CID 116989260
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine?
The IUPAC name of (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine (CID 147052117) is (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine.
What is the SMILES notation for (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine?
The canonical SMILES for (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine is CCOc1cc(Cc2ccc([C@H]3CNCCO3)cc2)cnc1Cl.
What is the InChIKey of (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine?
The InChIKey is BBNAULUDWJMXJB-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-2-22-16-10-14(11-21-18(16)19)9-13-3-5-15(6-4-13)17-12-20-7-8-23-17/h3-6,10-11,17,20H,2,7-9,12H2,1H3/t17-/m1/s1.
What are the key properties of (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine?
(2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine has a molecular weight of 332.83 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(6-chloro-5-ethoxy-3-pyridinyl)methyl]phenyl]morpholine is sourced from PubChem (CID 147052117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).