[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine

C15H23BrN2O — CID 105330710

IUPAC[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
SMILESCOc1ccc(Br)c(C(NN)C2CCCCCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-19-12-8-9-14(16)13(10-12)15(18-17)11-6-4-2-3-5-7-11/h8-11,15,18H,2-7,17H2,1H3
InChIKeyRXUVIZXQAZYRHU-UHFFFAOYSA-N
MW327.27 g/mol
LogP3.93
Rot. Bonds4

About [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine

[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine (PubChem CID 105330710) has the molecular formula C15H23BrN2O and a molecular weight of 327.27 g/mol. Its IUPAC name is [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine.

Molecular Properties

Compound Name[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
PubChem CID105330710
Molecular FormulaC15H23BrN2O
Molecular Weight327.27 g/mol
Exact Mass326.10
IUPAC Name[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine
SMILESCOc1ccc(Br)c(C(NN)C2CCCCCC2)c1
InChIInChI=1S/C15H23BrN2O/c1-19-12-8-9-14(16)13(10-12)15(18-17)11-6-4-2-3-5-7-11/h8-11,15,18H,2-7,17H2,1H3
InChIKeyRXUVIZXQAZYRHU-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 105079644
(S)-(2-bromo-5-methoxyphenyl)-cyclohexylmethanamine
CID 171224429
(R)-(2-bromo-5-methoxyphenyl)-cyclopentylmethanamine
CID 131313230
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[cyclobutyl-(2,5-dibromophenyl)methyl]hydrazine
CID 105340154
[cyclohexyl-(3-methoxyphenyl)methyl]hydrazine
CID 105191678
N-[(2-bromo-4-methoxyphenyl)-cyclohexylmethyl]ethanamine
CID 60787800
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
(R)-(2-bromo-5-methoxyphenyl)-cyclopropylmethanamine
CID 130690671
[cyclooctyl-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105255192
[2-(2-bromo-5-methoxyphenyl)-1-cyclobutylethyl]hydrazine
CID 105224433
1-(2-bromo-5-methoxyphenyl)-2-cyclopentyl-N-ethylethanamine
CID 105138866

Frequently Asked Questions

What is the IUPAC name of [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine?
The IUPAC name of [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine (CID 105330710) is [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine.
What is the SMILES notation for [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine?
The canonical SMILES for [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine is COc1ccc(Br)c(C(NN)C2CCCCCC2)c1.
What is the InChIKey of [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine?
The InChIKey is RXUVIZXQAZYRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O/c1-19-12-8-9-14(16)13(10-12)15(18-17)11-6-4-2-3-5-7-11/h8-11,15,18H,2-7,17H2,1H3.
What are the key properties of [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine?
[(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine has a molecular weight of 327.27 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-bromo-5-methoxyphenyl)-cycloheptylmethyl]hydrazine is sourced from PubChem (CID 105330710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).