[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine

C14H14Br2N2OS — CID 107970651

IUPAC[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1cccc(OC2CC2)c1)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2N2OS/c15-12-7-11(14(16)20-12)13(18-17)8-2-1-3-10(6-8)19-9-4-5-9/h1-3,6-7,9,13,18H,4-5,17H2
InChIKeyVXUDMJGOLGRCIK-UHFFFAOYSA-N
MW418.15 g/mol
LogP4.37
Rot. Bonds5

About [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine

[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine (PubChem CID 107970651) has the molecular formula C14H14Br2N2OS and a molecular weight of 418.15 g/mol. Its IUPAC name is [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine
PubChem CID107970651
Molecular FormulaC14H14Br2N2OS
Molecular Weight418.15 g/mol
Exact Mass415.92
IUPAC Name[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine
SMILESNNC(c1cccc(OC2CC2)c1)c1cc(Br)sc1Br
InChIInChI=1S/C14H14Br2N2OS/c15-12-7-11(14(16)20-12)13(18-17)8-2-1-3-10(6-8)19-9-4-5-9/h1-3,6-7,9,13,18H,4-5,17H2
InChIKeyVXUDMJGOLGRCIK-UHFFFAOYSA-N
XLogP4.37
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.15
LogP ≤ 54.37
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

[(4-bromophenyl)-(3-cyclopropyloxyphenyl)methyl]hydrazine
CID 105192579
[(3-cyclopropyloxyphenyl)-(2,5-dimethylphenyl)methyl]hydrazine
CID 105341115
1-(4-cyclopropyloxyphenyl)-1-(2,5-dibromothiophen-3-yl)-N-methylmethanamine
CID 107969275
[(3-cyclopropyloxyphenyl)-(furan-3-yl)methyl]hydrazine
CID 105221474
[(3-cyclopropyloxyphenyl)-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105211726
[(3-cyclopropyloxyphenyl)-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105341156
[(3-cyclopropyloxyphenyl)-(6-methyl-2-pyridinyl)methyl]hydrazine
CID 105219282
1-(2,5-dibromothiophen-3-yl)-1-[3-(difluoromethoxy)phenyl]-N-methylmethanamine
CID 43486884
[(3-cyclopropyloxyphenyl)-(4-ethylthiadiazol-5-yl)methyl]hydrazine
CID 105341171
N-[(5-bromo-4-methylthiophen-2-yl)-(3-cyclopropyloxyphenyl)methyl]ethanamine
CID 105051665
[3-cyclopentyl-1-(3-cyclopropyloxyphenyl)propyl]hydrazine
CID 105341139
[(2,5-dibromothiophen-3-yl)-(2,6-difluorophenyl)methyl]hydrazine
CID 107970307

Frequently Asked Questions

What is the IUPAC name of [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine (CID 107970651) is [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine is NNC(c1cccc(OC2CC2)c1)c1cc(Br)sc1Br.
What is the InChIKey of [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine?
The InChIKey is VXUDMJGOLGRCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Br2N2OS/c15-12-7-11(14(16)20-12)13(18-17)8-2-1-3-10(6-8)19-9-4-5-9/h1-3,6-7,9,13,18H,4-5,17H2.
What are the key properties of [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine?
[(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine has a molecular weight of 418.15 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-cyclopropyloxyphenyl)-(2,5-dibromothiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 107970651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).