4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline

C13H20FNO2 — CID 145312390

IUPAC4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline
SMILESCCCC[C@H](COC)Oc1cc(F)ccc1N
InChIInChI=1S/C13H20FNO2/c1-3-4-5-11(9-16-2)17-13-8-10(14)6-7-12(13)15/h6-8,11H,3-5,9,15H2,1-2H3/t11-/m1/s1
InChIKeyMNXRYHYPZKGZSG-LLVKDONJSA-N
MW241.31 g/mol
LogP2.99
Rot. Bonds7

About 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline

4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline (PubChem CID 145312390) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline.

Molecular Properties

Compound Name4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline
PubChem CID145312390
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline
SMILESCCCC[C@H](COC)Oc1cc(F)ccc1N
InChIInChI=1S/C13H20FNO2/c1-3-4-5-11(9-16-2)17-13-8-10(14)6-7-12(13)15/h6-8,11H,3-5,9,15H2,1-2H3/t11-/m1/s1
InChIKeyMNXRYHYPZKGZSG-LLVKDONJSA-N
XLogP2.99
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

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CID 117095564
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4-fluoro-2-(4-methylpentoxy)aniline
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1-(2-amino-5-fluorophenyl)-2-methoxyethanol
CID 82685227
2-[(1R)-1-aminopentyl]-4-fluoroaniline;dihydrochloride
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4-fluoro-2-hexan-2-yloxyaniline;5-methylpyrrolo[3,2-d]pyrimidine
CID 145312121
4-fluoro-2-(2-propoxyethoxy)aniline
CID 63684494
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
2-[(1S)-1-ethoxy-2,2,2-trifluoroethoxy]-4-fluoroaniline
CID 125499554
2-(2-chloro-5-fluorophenoxy)-N-ethyl-3-methoxypropan-1-amine
CID 114264334
methyl 2-(2-amino-5-fluorophenyl)sulfanylhexanoate
CID 113373527

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline?
The IUPAC name of 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline (CID 145312390) is 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline.
What is the SMILES notation for 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline?
The canonical SMILES for 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline is CCCC[C@H](COC)Oc1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline?
The InChIKey is MNXRYHYPZKGZSG-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-4-5-11(9-16-2)17-13-8-10(14)6-7-12(13)15/h6-8,11H,3-5,9,15H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline?
4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline has a molecular weight of 241.31 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline is sourced from PubChem (CID 145312390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).