4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline

C12H18FN3O — CID 107139674

IUPAC4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
SMILESNNC(c1cc(F)ccc1N)C1CCCOC1
InChIInChI=1S/C12H18FN3O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,14-15H2
InChIKeyOZHUOTKEXLTEPP-UHFFFAOYSA-N
MW239.29 g/mol
LogP1.34
Rot. Bonds3

About 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline

4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline (PubChem CID 107139674) has the molecular formula C12H18FN3O and a molecular weight of 239.29 g/mol. Its IUPAC name is 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
PubChem CID107139674
Molecular FormulaC12H18FN3O
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline
SMILESNNC(c1cc(F)ccc1N)C1CCCOC1
InChIInChI=1S/C12H18FN3O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,14-15H2
InChIKeyOZHUOTKEXLTEPP-UHFFFAOYSA-N
XLogP1.34
TPSA73.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2,4-difluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229979
2-[cyclopentyl(hydrazinyl)methyl]-4-fluoroaniline
CID 105263116
[(5-fluoro-1-benzofuran-2-yl)-(oxan-3-yl)methyl]hydrazine
CID 105230132
[(5-chloro-2-fluorophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139728
[(2,5-dibromophenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139773
N-[(2,5-difluorophenyl)-(oxan-3-yl)methyl]ethanamine
CID 63010696
[(2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 105229812
1-(5-fluoro-2-methoxyphenyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 63012561
[(5-bromo-2-methylphenyl)-(oxan-3-yl)methyl]hydrazine
CID 107139910
N-[(5-fluoro-2-methylphenyl)-(oxan-3-yl)methyl]propan-1-amine
CID 65333512
[cyclooctyl-(2,5-difluorophenyl)methyl]hydrazine
CID 105255093
[cyclobutyl-[5-fluoro-2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105257667

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline (CID 107139674) is 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline is NNC(c1cc(F)ccc1N)C1CCCOC1.
What is the InChIKey of 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline?
The InChIKey is OZHUOTKEXLTEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O/c13-9-3-4-11(14)10(6-9)12(16-15)8-2-1-5-17-7-8/h3-4,6,8,12,16H,1-2,5,7,14-15H2.
What are the key properties of 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline?
4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline has a molecular weight of 239.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[hydrazinyl(oxan-3-yl)methyl]aniline is sourced from PubChem (CID 107139674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).