1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine

C20H25BrN2O2 — CID 169386277

IUPAC1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Br)cc1OC1CCCC1
InChIInChI=1S/C20H25BrN2O2/c1-2-24-19-12-15(14-22-23-16-8-4-3-5-9-16)18(21)13-20(19)25-17-10-6-7-11-17/h3-5,8-9,12-13,17,22-23H,2,6-7,10-11,14H2,1H3
InChIKeyQDXIRCDOKLBFIT-UHFFFAOYSA-N
MW405.34 g/mol
LogP5.29
Rot. Bonds8

About 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine

1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine (PubChem CID 169386277) has the molecular formula C20H25BrN2O2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
PubChem CID169386277
Molecular FormulaC20H25BrN2O2
Molecular Weight405.34 g/mol
Exact Mass404.11
IUPAC Name1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine
SMILESCCOc1cc(CNNc2ccccc2)c(Br)cc1OC1CCCC1
InChIInChI=1S/C20H25BrN2O2/c1-2-24-19-12-15(14-22-23-16-8-4-3-5-9-16)18(21)13-20(19)25-17-10-6-7-11-17/h3-5,8-9,12-13,17,22-23H,2,6-7,10-11,14H2,1H3
InChIKeyQDXIRCDOKLBFIT-UHFFFAOYSA-N
XLogP5.29
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.34
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2-bromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386040
1-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386338
2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol
CID 2990058
propan-2-yl 2-[5-bromo-2-ethoxy-4-[(2-phenylhydrazinyl)methyl]phenoxy]acetate
CID 169386474
N-[(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]cyclooctanamine
CID 66532208
2-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methylamino]butan-1-ol;hydrochloride
CID 2990057
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]cyclohexanamine
CID 66532864
N-[(2-bromo-5-ethoxy-4-propoxyphenyl)methyl]cyclopentanamine
CID 66525622
1-[(2,3-dibromo-4-ethoxy-5-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386351
N-[(2-bromo-4-cyclopentyloxy-5-methoxyphenyl)methyl]propan-2-amine
CID 976640
1-[(2-chloro-5-ethoxy-4-phenylmethoxyphenyl)methyl]-2-phenylhydrazine
CID 169386421
1-[(2-chloro-5-ethoxy-4-prop-2-enoxyphenyl)methyl]-2-phenylhydrazine
CID 169385814

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine (CID 169386277) is 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine is CCOc1cc(CNNc2ccccc2)c(Br)cc1OC1CCCC1.
What is the InChIKey of 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine?
The InChIKey is QDXIRCDOKLBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O2/c1-2-24-19-12-15(14-22-23-16-8-4-3-5-9-16)18(21)13-20(19)25-17-10-6-7-11-17/h3-5,8-9,12-13,17,22-23H,2,6-7,10-11,14H2,1H3.
What are the key properties of 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine?
1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine has a molecular weight of 405.34 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-cyclopentyloxy-5-ethoxyphenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).