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

C17H20N2OS — CID 105291549

IUPAC[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSc3ccccc32)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-9-12(20-2)7-8-13(11)17(19-18)15-10-21-16-6-4-3-5-14(15)16/h3-9,15,17,19H,10,18H2,1-2H3
InChIKeyMJAQQOUGAYPIEB-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.40
Rot. Bonds4

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

[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine (PubChem CID 105291549) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
PubChem CID105291549
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSc3ccccc32)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-11-9-12(20-2)7-8-13(11)17(19-18)15-10-21-16-6-4-3-5-14(15)16/h3-9,15,17,19H,10,18H2,1-2H3
InChIKeyMJAQQOUGAYPIEB-UHFFFAOYSA-N
XLogP3.40
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.40
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-methoxyphenyl)methyl]hydrazine
CID 105286232
2-(2-bromo-5-methoxyphenyl)-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105151013
[2,3-dihydro-1,4-benzoxathiin-2-yl-(2,4-dimethylphenyl)methyl]hydrazine
CID 106602146
[(1,1-dioxothian-2-yl)-(4-methoxy-2-methylphenyl)methyl]hydrazine
CID 105291598
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213664
[2-cyclobutyl-1-(4-methoxy-2-methylphenyl)ethyl]hydrazine
CID 103170431
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173171
[cyclopropyl(2,3-dihydro-1-benzothiophen-3-yl)methyl]hydrazine
CID 105314544
1-cycloheptyl-1-(4-methoxy-2-methylphenyl)-N-methylmethanamine
CID 55091680
N-[2,3-dihydro-1-benzothiophen-3-yl-(3,5-dimethylphenyl)methyl]ethanamine
CID 105096909
N-[2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methyl]ethanamine
CID 105140590
1-(2,3-dihydro-1-benzothiophen-3-yl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 105142911

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine (CID 105291549) is [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine is COc1ccc(C(NN)C2CSc3ccccc32)c(C)c1.
What is the InChIKey of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine?
The InChIKey is MJAQQOUGAYPIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-11-9-12(20-2)7-8-13(11)17(19-18)15-10-21-16-6-4-3-5-14(15)16/h3-9,15,17,19H,10,18H2,1-2H3.
What are the key properties of [2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine?
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxy-2-methylphenyl)methyl]hydrazine has a molecular weight of 300.43 g/mol, XLogP of 3.40, 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-methoxy-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105291549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).