(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid

C15H23FN2O5S — CID 88515801

IUPAC(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid
SMILESCS(=O)(=O)O.Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCCN2
InChIInChI=1S/C14H19FN2O2.CH4O3S/c15-12-3-4-13(14-11(12)2-1-5-17-14)19-9-10-8-16-6-7-18-10;1-5(2,3)4/h3-4,10,16-17H,1-2,5-9H2;1H3,(H,2,3,4)/t10-;/m0./s1
InChIKeyZDAMKFFUVNNNTP-PPHPATTJSA-N
MW362.42 g/mol
LogP1.05
Rot. Bonds3

About (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid

(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid (PubChem CID 88515801) has the molecular formula C15H23FN2O5S and a molecular weight of 362.42 g/mol. Its IUPAC name is (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid.

Molecular Properties

Compound Name(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid
PubChem CID88515801
Molecular FormulaC15H23FN2O5S
Molecular Weight362.42 g/mol
Exact Mass362.13
IUPAC Name(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid
SMILESCS(=O)(=O)O.Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCCN2
InChIInChI=1S/C14H19FN2O2.CH4O3S/c15-12-3-4-13(14-11(12)2-1-5-17-14)19-9-10-8-16-6-7-18-10;1-5(2,3)4/h3-4,10,16-17H,1-2,5-9H2;1H3,(H,2,3,4)/t10-;/m0./s1
InChIKeyZDAMKFFUVNNNTP-PPHPATTJSA-N
XLogP1.05
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.42
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid with MolForge

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Related Compounds

(2R)-2-[(5-fluoroquinolin-8-yl)oxymethyl]morpholine
CID 54428524
2-[[2-(trifluoromethylsulfonyl)phenoxy]methyl]morpholine
CID 114468909
2-bromo-3-fluoro-4-(morpholin-2-ylmethoxy)benzonitrile
CID 107539843
2-(morpholin-2-ylmethoxy)benzonitrile
CID 64534469
2-(2,3-dihydro-1H-indol-4-yloxymethyl)morpholine
CID 165348983
2-(morpholin-2-ylmethoxy)-N-propylbenzenesulfonamide
CID 114469155
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-[(4-ethylsulfonylphenoxy)methyl]morpholine
CID 114469326
1-methyl-4-(morpholin-2-ylmethoxy)-2,3-dihydroinden-1-ol
CID 54065514

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid?
The IUPAC name of (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid (CID 88515801) is (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid.
What is the SMILES notation for (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid?
The canonical SMILES for (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid is CS(=O)(=O)O.Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCCN2.
What is the InChIKey of (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid?
The InChIKey is ZDAMKFFUVNNNTP-PPHPATTJSA-N. The full InChI is InChI=1S/C14H19FN2O2.CH4O3S/c15-12-3-4-13(14-11(12)2-1-5-17-14)19-9-10-8-16-6-7-18-10;1-5(2,3)4/h3-4,10,16-17H,1-2,5-9H2;1H3,(H,2,3,4)/t10-;/m0./s1.
What are the key properties of (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid?
(2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid has a molecular weight of 362.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)oxymethyl]morpholine;methanesulfonic acid is sourced from PubChem (CID 88515801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).