[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine

C17H27FN2O — CID 105278412

IUPAC[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C17H27FN2O/c1-3-21-17(10-6-4-5-7-11-17)16(20-19)15-9-8-14(18)12-13(15)2/h8-9,12,16,20H,3-7,10-11,19H2,1-2H3
InChIKeyHUHXAJHSZSVRFT-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.77
Rot. Bonds5

About [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine

[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine (PubChem CID 105278412) has the molecular formula C17H27FN2O and a molecular weight of 294.41 g/mol. Its IUPAC name is [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
PubChem CID105278412
Molecular FormulaC17H27FN2O
Molecular Weight294.41 g/mol
Exact Mass294.21
IUPAC Name[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccc(F)cc2C)CCCCCC1
InChIInChI=1S/C17H27FN2O/c1-3-21-17(10-6-4-5-7-11-17)16(20-19)15-9-8-14(18)12-13(15)2/h8-9,12,16,20H,3-7,10-11,19H2,1-2H3
InChIKeyHUHXAJHSZSVRFT-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.77
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

[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
[(2-chloro-5-fluorophenyl)-(1-ethoxycyclopentyl)methyl]hydrazine
CID 105397987
[(1-ethoxycyclohexyl)-(3-fluorophenyl)methyl]hydrazine
CID 105276324
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276212
[(1-ethoxycyclohexyl)-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 107130905
[(1-ethoxycyclohexyl)-(2-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 103397682
[(2,3-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276240
[(5-fluoro-2-methylphenyl)-(1-methoxycyclohexyl)methyl]hydrazine
CID 105275942
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
N-[(2,4-dimethylphenyl)-(1-ethoxycyclohexyl)methyl]ethanamine
CID 116764056
[(3,5-dimethylphenyl)-(1-ethoxycycloheptyl)methyl]hydrazine
CID 105278518

Frequently Asked Questions

What is the IUPAC name of [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine (CID 105278412) is [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine is CCOC1(C(NN)c2ccc(F)cc2C)CCCCCC1.
What is the InChIKey of [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine?
The InChIKey is HUHXAJHSZSVRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FN2O/c1-3-21-17(10-6-4-5-7-11-17)16(20-19)15-9-8-14(18)12-13(15)2/h8-9,12,16,20H,3-7,10-11,19H2,1-2H3.
What are the key properties of [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine?
[(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine has a molecular weight of 294.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-ethoxycycloheptyl)-(4-fluoro-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105278412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).