[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

C15H22BrFN2O — CID 103170713

IUPAC[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(Cc2cccc(F)c2Br)NN)C1
InChIInChI=1S/C15H22BrFN2O/c1-2-20-13-7-10(8-13)6-12(19-18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13,19H,2,6-9,18H2,1H3
InChIKeyUFKDAAZTOYWBQI-UHFFFAOYSA-N
MW345.26 g/mol
LogP3.17
Rot. Bonds7

About [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine

[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (PubChem CID 103170713) has the molecular formula C15H22BrFN2O and a molecular weight of 345.26 g/mol. Its IUPAC name is [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
PubChem CID103170713
Molecular FormulaC15H22BrFN2O
Molecular Weight345.26 g/mol
Exact Mass344.09
IUPAC Name[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
SMILESCCOC1CC(CC(Cc2cccc(F)c2Br)NN)C1
InChIInChI=1S/C15H22BrFN2O/c1-2-20-13-7-10(8-13)6-12(19-18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13,19H,2,6-9,18H2,1H3
InChIKeyUFKDAAZTOYWBQI-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 53.17
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-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-ethylpropan-2-amine
CID 103169265
[1-(3-ethoxycyclobutyl)-3-(2-methylphenyl)propan-2-yl]hydrazine
CID 103170384
1-(3-ethoxycyclobutyl)-N-ethyl-3-(2-fluorophenyl)propan-2-amine
CID 103164148
[1-(3-bromophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170381
[1-(2,6-dimethylphenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170731
[1-(4-bromo-2-chlorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine
CID 103170787
1-(2-bromo-3-fluorophenyl)-3-cyclopentyl-N-ethylpropan-2-amine
CID 105020430
1-(2-bromo-3-fluorophenyl)-3-cyclohexyl-N-ethylpropan-2-amine
CID 105020439
[1-(2-bromo-3-fluorophenyl)-3-(2,6-difluorophenyl)propan-2-yl]hydrazine
CID 105327024
[1-(3-ethoxycyclobutyl)-3-(3-methylphenyl)propan-2-yl]hydrazine
CID 103170383
1-(2,3-difluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-ol
CID 103166460
1-(2-bromo-4-fluorophenyl)-3-(3-ethoxycyclobutyl)-N-methylpropan-2-amine
CID 103168471

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine (CID 103170713) is [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is CCOC1CC(CC(Cc2cccc(F)c2Br)NN)C1.
What is the InChIKey of [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
The InChIKey is UFKDAAZTOYWBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2O/c1-2-20-13-7-10(8-13)6-12(19-18)9-11-4-3-5-14(17)15(11)16/h3-5,10,12-13,19H,2,6-9,18H2,1H3.
What are the key properties of [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine?
[1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine has a molecular weight of 345.26 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-3-fluorophenyl)-3-(3-ethoxycyclobutyl)propan-2-yl]hydrazine is sourced from PubChem (CID 103170713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).