[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine

C16H18N2OS — CID 105286232

IUPAC[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSc3ccccc32)cc1
InChIInChI=1S/C16H18N2OS/c1-19-12-8-6-11(7-9-12)16(18-17)14-10-20-15-5-3-2-4-13(14)15/h2-9,14,16,18H,10,17H2,1H3
InChIKeyZFNYPMHZRDGAPW-UHFFFAOYSA-N
MW286.40 g/mol
LogP3.09
Rot. Bonds4

About [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine

[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine (PubChem CID 105286232) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
PubChem CID105286232
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSc3ccccc32)cc1
InChIInChI=1S/C16H18N2OS/c1-19-12-8-6-11(7-9-12)16(18-17)14-10-20-15-5-3-2-4-13(14)15/h2-9,14,16,18H,10,17H2,1H3
InChIKeyZFNYPMHZRDGAPW-UHFFFAOYSA-N
XLogP3.09
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.09
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

[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291549
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-1-(4-methoxyphenyl)ethanamine
CID 79206268
N-[2,3-dihydro-1-benzothiophen-3-yl(phenyl)methyl]ethanamine
CID 105083790
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
N-[2,3-dihydro-1-benzothiophen-3-yl-(4-fluorophenyl)methyl]propan-1-amine
CID 105088283
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
[2,3-dihydro-1-benzothiophen-3-yl-(3-methylcyclohexyl)methyl]hydrazine
CID 105313541
(4-cyclopropyloxyphenyl)-(2,3-dihydro-1-benzothiophen-3-yl)methanol
CID 105131461

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine (CID 105286232) is [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)C2CSc3ccccc32)cc1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is ZFNYPMHZRDGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-19-12-8-6-11(7-9-12)16(18-17)14-10-20-15-5-3-2-4-13(14)15/h2-9,14,16,18H,10,17H2,1H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 286.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105286232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).