[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

C14H22FN3OS — CID 106446450

IUPAC[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)C2CSCCN2C)c1F
InChIInChI=1S/C14H22FN3OS/c1-18-6-7-20-9-12(18)11(17-16)8-10-4-3-5-13(19-2)14(10)15/h3-5,11-12,17H,6-9,16H2,1-2H3
InChIKeyFNYGJYDPDXJKSN-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.26
Rot. Bonds5

About [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (PubChem CID 106446450) has the molecular formula C14H22FN3OS and a molecular weight of 299.42 g/mol. Its IUPAC name is [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
PubChem CID106446450
Molecular FormulaC14H22FN3OS
Molecular Weight299.42 g/mol
Exact Mass299.15
IUPAC Name[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCOc1cccc(CC(NN)C2CSCCN2C)c1F
InChIInChI=1S/C14H22FN3OS/c1-18-6-7-20-9-12(18)11(17-16)8-10-4-3-5-13(19-2)14(10)15/h3-5,11-12,17H,6-9,16H2,1-2H3
InChIKeyFNYGJYDPDXJKSN-UHFFFAOYSA-N
XLogP1.26
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446415
[2-(2,5-difluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446251
[2-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
[1-(4-methylthiomorpholin-3-yl)-2-phenylethyl]hydrazine
CID 106446350
N-[(2-fluoro-3-methoxyphenyl)-(4-methylthiomorpholin-3-yl)methyl]propan-1-amine
CID 106445454
3-[2-hydrazinyl-2-(4-methylthiomorpholin-3-yl)ethyl]pyridin-2-amine
CID 106446527
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(4-methylthiomorpholin-3-yl)methanamine
CID 106444824
[1-cyclooctyl-2-(2-fluoro-3-methoxyphenyl)ethyl]hydrazine
CID 105255263
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210747
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794154
1-(1,4-dithian-2-yl)-2-(2-fluoro-3-methoxyphenyl)ethanamine
CID 104794151

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (CID 106446450) is [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is COc1cccc(CC(NN)C2CSCCN2C)c1F.
What is the InChIKey of [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The InChIKey is FNYGJYDPDXJKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3OS/c1-18-6-7-20-9-12(18)11(17-16)8-10-4-3-5-13(19-2)14(10)15/h3-5,11-12,17H,6-9,16H2,1-2H3.
What are the key properties of [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
[2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine has a molecular weight of 299.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluoro-3-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106446450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).