[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine

C14H17BrN2OS — CID 105308969

IUPAC[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
SMILESCOc1ccc(C(CCc2cccs2)NN)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-18-14-7-4-10(9-12(14)15)13(17-16)6-5-11-3-2-8-19-11/h2-4,7-9,13,17H,5-6,16H2,1H3
InChIKeyBSWRLQNDVRQGIM-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.66
Rot. Bonds6

About [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine

[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine (PubChem CID 105308969) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
PubChem CID105308969
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
SMILESCOc1ccc(C(CCc2cccs2)NN)cc1Br
InChIInChI=1S/C14H17BrN2OS/c1-18-14-7-4-10(9-12(14)15)13(17-16)6-5-11-3-2-8-19-11/h2-4,7-9,13,17H,5-6,16H2,1H3
InChIKeyBSWRLQNDVRQGIM-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 53.66
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

[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
[1-(3-bromo-4-methoxyphenyl)-3-methylsulfonylpropyl]hydrazine
CID 114985195
[1-(2,4-dimethoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308893
[1-(3-bromo-4-methoxyphenyl)-3-(2-methylpyrazol-3-yl)propyl]hydrazine
CID 103026148
[1-(3-chloro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308904
[1-(3-fluoro-4-methylphenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105201470
N-ethyl-1-(3-fluoro-4-methoxyphenyl)-3-thiophen-2-ylpropan-1-amine
CID 115860982
[1-(3-bromo-4-methoxyphenyl)-3-cyclopropylpropyl]hydrazine
CID 105315194
[1-(3-iodophenyl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308804
[1-(6-methoxypyridazin-3-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 103375476
[1-(2,3-dihydro-1H-inden-5-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308909
[1-(3-bromo-4-methoxyphenyl)-2-(2-bromophenyl)ethyl]hydrazine
CID 105283965

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine?
The IUPAC name of [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine (CID 105308969) is [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine?
The canonical SMILES for [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine is COc1ccc(C(CCc2cccs2)NN)cc1Br.
What is the InChIKey of [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine?
The InChIKey is BSWRLQNDVRQGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-18-14-7-4-10(9-12(14)15)13(17-16)6-5-11-3-2-8-19-11/h2-4,7-9,13,17H,5-6,16H2,1H3.
What are the key properties of [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine?
[1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine has a molecular weight of 341.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-4-methoxyphenyl)-3-thiophen-2-ylpropyl]hydrazine is sourced from PubChem (CID 105308969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).