[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

C14H17ClN2OS — CID 103436227

IUPAC[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2sccc2Cl)ccc(C)c1C
InChIInChI=1S/C14H17ClN2OS/c1-8-4-5-10(13(18-3)9(8)2)12(17-16)14-11(15)6-7-19-14/h4-7,12,17H,16H2,1-3H3
InChIKeyQBIQRNISUNVNTG-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.58
Rot. Bonds4

About [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine

[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (PubChem CID 103436227) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
PubChem CID103436227
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
SMILESCOc1c(C(NN)c2sccc2Cl)ccc(C)c1C
InChIInChI=1S/C14H17ClN2OS/c1-8-4-5-10(13(18-3)9(8)2)12(17-16)14-11(15)6-7-19-14/h4-7,12,17H,16H2,1-3H3
InChIKeyQBIQRNISUNVNTG-UHFFFAOYSA-N
XLogP3.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(3-chlorothiophen-2-yl)-(2-methoxy-4-methylphenyl)methyl]hydrazine
CID 107362226
[(3-chlorothiophen-2-yl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105292490
[(3-chlorothiophen-2-yl)-(2-methoxy-3-pyridinyl)methyl]hydrazine
CID 107362326
[(3-chlorothiophen-2-yl)-(4-methoxyphenyl)methyl]hydrazine
CID 105286186
1-(2-methoxy-3,4-dimethylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 103435556
[(3-chlorothiophen-2-yl)-(4-methoxy-3-methylphenyl)methyl]hydrazine
CID 107362142
[(3-chloro-4-iodophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436374
[(3-chloro-5-methylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436322
[(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436388
1-(3-chlorothiophen-2-yl)-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 80528928
[(3-bromo-2-chlorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 103436318
[(3-chlorothiophen-2-yl)-(3,5-dimethylphenyl)methyl]hydrazine
CID 105286685

Frequently Asked Questions

What is the IUPAC name of [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The IUPAC name of [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine (CID 103436227) is [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is COc1c(C(NN)c2sccc2Cl)ccc(C)c1C.
What is the InChIKey of [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
The InChIKey is QBIQRNISUNVNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c1-8-4-5-10(13(18-3)9(8)2)12(17-16)14-11(15)6-7-19-14/h4-7,12,17H,16H2,1-3H3.
What are the key properties of [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine?
[(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine has a molecular weight of 296.82 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chlorothiophen-2-yl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 103436227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).