[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

C14H22BrN3OS — CID 106446415

IUPAC[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CSCCN1C
InChIInChI=1S/C14H22BrN3OS/c1-18-5-6-20-9-13(18)12(17-16)8-10-7-11(15)3-4-14(10)19-2/h3-4,7,12-13,17H,5-6,8-9,16H2,1-2H3
InChIKeyLGQKYKDBPVLKBK-UHFFFAOYSA-N
MW360.32 g/mol
LogP1.88
Rot. Bonds5

About [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine

[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (PubChem CID 106446415) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
PubChem CID106446415
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
SMILESCOc1ccc(Br)cc1CC(NN)C1CSCCN1C
InChIInChI=1S/C14H22BrN3OS/c1-18-5-6-20-9-13(18)12(17-16)8-10-7-11(15)3-4-14(10)19-2/h3-4,7,12-13,17H,5-6,8-9,16H2,1-2H3
InChIKeyLGQKYKDBPVLKBK-UHFFFAOYSA-N
XLogP1.88
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 51.88
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-(2-chloro-5-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446395
[2-(3-bromothiophen-2-yl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine
CID 106446358
[2-(5-bromo-2-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224453
[1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105224760
[1-(3-bicyclo[3.1.0]hexanyl)-2-(5-bromo-2-methoxyphenyl)ethyl]hydrazine
CID 105290129
N-[2-(2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]propan-1-amine
CID 106445493
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210614
[1-(1,4-dimethylpiperazin-2-yl)-2-(2-methoxy-5-methylphenyl)ethyl]hydrazine
CID 105247353
3-[2-hydrazinyl-2-(4-methylthiomorpholin-3-yl)ethyl]pyridin-2-amine
CID 106446527
2-(5-bromo-2-methoxyphenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965642
2-(3-bromo-4-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595773
2-(5-bromo-2-fluorophenyl)-1-(4-methylthiomorpholin-3-yl)ethanol
CID 103595830

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine (CID 106446415) is [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is COc1ccc(Br)cc1CC(NN)C1CSCCN1C.
What is the InChIKey of [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
The InChIKey is LGQKYKDBPVLKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-18-5-6-20-9-13(18)12(17-16)8-10-7-11(15)3-4-14(10)19-2/h3-4,7,12-13,17H,5-6,8-9,16H2,1-2H3.
What are the key properties of [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine?
[2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine has a molecular weight of 360.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2-methoxyphenyl)-1-(4-methylthiomorpholin-3-yl)ethyl]hydrazine is sourced from PubChem (CID 106446415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).