[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine

C14H17ClN2O2S — CID 105334131

IUPAC[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
SMILESCOCCOc1ccccc1C(NN)c1sccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-18-7-8-19-12-5-3-2-4-10(12)13(17-16)14-11(15)6-9-20-14/h2-6,9,13,17H,7-8,16H2,1H3
InChIKeyWSMLRIURGVGQAT-UHFFFAOYSA-N
MW312.82 g/mol
LogP2.98
Rot. Bonds7

About [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine

[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine (PubChem CID 105334131) has the molecular formula C14H17ClN2O2S and a molecular weight of 312.82 g/mol. Its IUPAC name is [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
PubChem CID105334131
Molecular FormulaC14H17ClN2O2S
Molecular Weight312.82 g/mol
Exact Mass312.07
IUPAC Name[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
SMILESCOCCOc1ccccc1C(NN)c1sccc1Cl
InChIInChI=1S/C14H17ClN2O2S/c1-18-7-8-19-12-5-3-2-4-10(12)13(17-16)14-11(15)6-9-20-14/h2-6,9,13,17H,7-8,16H2,1H3
InChIKeyWSMLRIURGVGQAT-UHFFFAOYSA-N
XLogP2.98
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chlorothiophen-2-yl)-1-[2-(2-methoxyethoxy)phenyl]-N-methylmethanamine
CID 105035225
(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanamine
CID 105035341
[[2-(2-methoxyethoxy)phenyl]-phenylmethyl]hydrazine
CID 105199390
1-[2-(2-methoxyethoxy)phenyl]-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 105035272
[(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 107362326
[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226
[[2-(2-methoxyethoxy)phenyl]-pyrazin-2-ylmethyl]hydrazine
CID 105203487
[[2-(2-methoxyethoxy)phenyl]-(5-methylfuran-3-yl)methyl]hydrazine
CID 105334159
(3-bromothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methanol
CID 104658901
[(3-fluoro-2-pyridinyl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 105257971
[(1,3-dimethylpyrazol-4-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine
CID 102805185
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436227

Frequently Asked Questions

What is the IUPAC name of [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine?
The IUPAC name of [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine (CID 105334131) is [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine.
What is the SMILES notation for [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine?
The canonical SMILES for [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine is COCCOc1ccccc1C(NN)c1sccc1Cl.
What is the InChIKey of [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine?
The InChIKey is WSMLRIURGVGQAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2S/c1-18-7-8-19-12-5-3-2-4-10(12)13(17-16)14-11(15)6-9-20-14/h2-6,9,13,17H,7-8,16H2,1H3.
What are the key properties of [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine?
[(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine has a molecular weight of 312.82 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorothiophen-2-yl)-[2-(2-methoxyethoxy)phenyl]methyl]hydrazine is sourced from PubChem (CID 105334131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).