(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

C17H18F2N2O3 — CID 59166899

IUPAC(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCOc1cccc([C@H](Oc2c(F)cccc2F)[C@@H]2CNCCO2)n1
InChIInChI=1S/C17H18F2N2O3/c1-22-15-7-3-6-13(21-15)17(14-10-20-8-9-23-14)24-16-11(18)4-2-5-12(16)19/h2-7,14,17,20H,8-10H2,1H3/t14-,17-/m0/s1
InChIKeyJRFJBBPBKSRVOX-YOEHRIQHSA-N
MW336.34 g/mol
LogP2.48
Rot. Bonds5

About (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine

(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (PubChem CID 59166899) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
PubChem CID59166899
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC Name(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine
SMILESCOc1cccc([C@H](Oc2c(F)cccc2F)[C@@H]2CNCCO2)n1
InChIInChI=1S/C17H18F2N2O3/c1-22-15-7-3-6-13(21-15)17(14-10-20-8-9-23-14)24-16-11(18)4-2-5-12(16)19/h2-7,14,17,20H,8-10H2,1H3/t14-,17-/m0/s1
InChIKeyJRFJBBPBKSRVOX-YOEHRIQHSA-N
XLogP2.48
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The IUPAC name of (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine (CID 59166899) is (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine.
What is the SMILES notation for (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The canonical SMILES for (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is COc1cccc([C@H](Oc2c(F)cccc2F)[C@@H]2CNCCO2)n1.
What is the InChIKey of (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
The InChIKey is JRFJBBPBKSRVOX-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c1-22-15-7-3-6-13(21-15)17(14-10-20-8-9-23-14)24-16-11(18)4-2-5-12(16)19/h2-7,14,17,20H,8-10H2,1H3/t14-,17-/m0/s1.
What are the key properties of (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine?
(2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine has a molecular weight of 336.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(2,6-difluorophenoxy)-(6-methoxy-2-pyridinyl)methyl]morpholine is sourced from PubChem (CID 59166899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).