[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine

C14H17BrN2OS — CID 105310605

IUPAC[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2sccc2Br)cc1
InChIInChI=1S/C14H17BrN2OS/c1-18-11-5-2-10(3-6-11)4-7-13(17-16)14-12(15)8-9-19-14/h2-3,5-6,8-9,13,17H,4,7,16H2,1H3
InChIKeyMMSJFSCSUCYMEO-UHFFFAOYSA-N
MW341.27 g/mol
LogP3.66
Rot. Bonds6

About [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine

[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine (PubChem CID 105310605) has the molecular formula C14H17BrN2OS and a molecular weight of 341.27 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
PubChem CID105310605
Molecular FormulaC14H17BrN2OS
Molecular Weight341.27 g/mol
Exact Mass340.02
IUPAC Name[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
SMILESCOc1ccc(CCC(NN)c2sccc2Br)cc1
InChIInChI=1S/C14H17BrN2OS/c1-18-11-5-2-10(3-6-11)4-7-13(17-16)14-12(15)8-9-19-14/h2-3,5-6,8-9,13,17H,4,7,16H2,1H3
InChIKeyMMSJFSCSUCYMEO-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-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethyl]hydrazine
CID 105205541
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropyl]hydrazine
CID 105327947
1-(3-bromothiophen-2-yl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 55239729
1-(3-bromothiophen-2-yl)-2-(4-methoxyphenyl)ethanol
CID 63799484
[1-(4-bromo-2-methylphenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310534
1-(3-bromothiophen-2-yl)pent-4-ynylhydrazine
CID 105307933
[1-(2-bromophenyl)-4-(4-methoxyphenyl)butan-2-yl]hydrazine
CID 105214858
[1-(furan-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105213476
[1-(3-methoxythiophen-2-yl)-3-thiophen-3-ylpropyl]hydrazine
CID 105306890
[1-(2-iodophenyl)-3-(4-methoxyphenyl)propyl]hydrazine
CID 105310577
3-chloro-2-[1-chloro-3-(4-methoxyphenyl)propyl]thiophene
CID 80530344
[1-(3-bromothiophen-2-yl)-2-propoxyethyl]hydrazine
CID 105210144

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine (CID 105310605) is [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine is COc1ccc(CCC(NN)c2sccc2Br)cc1.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine?
The InChIKey is MMSJFSCSUCYMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2OS/c1-18-11-5-2-10(3-6-11)4-7-13(17-16)14-12(15)8-9-19-14/h2-3,5-6,8-9,13,17H,4,7,16H2,1H3.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]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-bromothiophen-2-yl)-3-(4-methoxyphenyl)propyl]hydrazine is sourced from PubChem (CID 105310605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).