[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine

C17H27FN2O — CID 105292967

IUPAC[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(CC2CCCCCC2)NN)cc1F
InChIInChI=1S/C17H27FN2O/c1-21-17-9-8-14(12-16(17)18)11-15(20-19)10-13-6-4-2-3-5-7-13/h8-9,12-13,15,20H,2-7,10-11,19H2,1H3
InChIKeyYJJLNYMQYXWMNV-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.57
Rot. Bonds6

About [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine

[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine (PubChem CID 105292967) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
PubChem CID105292967
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(CC2CCCCCC2)NN)cc1F
InChIInChI=1S/C17H27FN2O/c1-21-17-9-8-14(12-16(17)18)11-15(20-19)10-13-6-4-2-3-5-7-13/h8-9,12-13,15,20H,2-7,10-11,19H2,1H3
InChIKeyYJJLNYMQYXWMNV-UHFFFAOYSA-N
XLogP3.57
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.57
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

[1-cyclooctyl-2-(3-fluoro-4-methoxyphenyl)ethyl]hydrazine
CID 105255092
1-cyclobutyl-3-(3-fluoro-4-methoxyphenyl)propan-2-amine
CID 103168395
4-cyclohexyl-1-(3-fluoro-4-methoxyphenyl)-N-methylbutan-2-amine
CID 115829566
[1-cyclobutyl-3-(3,4-difluorophenyl)propan-2-yl]hydrazine
CID 105310203
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanamine
CID 65398856
1-cycloheptyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 65399384
[1-(4-chloro-3-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 107895453
4-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)butan-2-amine
CID 115829847
[1-cyclobutyl-3-(3,4-dimethylphenyl)propan-2-yl]hydrazine
CID 105215170
1-(3-fluoro-4-methoxyphenyl)-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987074
[1-(3-bromo-4-fluorophenyl)-3-cyclobutylpropan-2-yl]hydrazine
CID 103170422
[1-(3,4-difluorophenyl)-3-(oxan-4-yl)propan-2-yl]hydrazine
CID 105298960

Frequently Asked Questions

What is the IUPAC name of [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine (CID 105292967) is [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine is COc1ccc(CC(CC2CCCCCC2)NN)cc1F.
What is the InChIKey of [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
The InChIKey is YJJLNYMQYXWMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-21-17-9-8-14(12-16(17)18)11-15(20-19)10-13-6-4-2-3-5-7-13/h8-9,12-13,15,20H,2-7,10-11,19H2,1H3.
What are the key properties of [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine?
[1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine has a molecular weight of 294.41 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-cycloheptyl-3-(3-fluoro-4-methoxyphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105292967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).