butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium

C15H25FNO2+ — CID 2314449

IUPACbutyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium
SMILESCCCC[NH+](C)C[C@H](O)COCc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-4-9-17(2)10-14(18)12-19-11-13-7-5-6-8-15(13)16/h5-8,14,18H,3-4,9-12H2,1-2H3/p+1/t14-/m0/s1
InChIKeyWLLPWOTUJWPARI-AWEZNQCLSA-O
MW270.37 g/mol
LogP1.02
Rot. Bonds9

About butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium

butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium (PubChem CID 2314449) has the molecular formula C15H25FNO2+ and a molecular weight of 270.37 g/mol. Its IUPAC name is butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium.

Molecular Properties

Compound Namebutyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium
PubChem CID2314449
Molecular FormulaC15H25FNO2+
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Namebutyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium
SMILESCCCC[NH+](C)C[C@H](O)COCc1ccccc1F
InChIInChI=1S/C15H24FNO2/c1-3-4-9-17(2)10-14(18)12-19-11-13-7-5-6-8-15(13)16/h5-8,14,18H,3-4,9-12H2,1-2H3/p+1/t14-/m0/s1
InChIKeyWLLPWOTUJWPARI-AWEZNQCLSA-O
XLogP1.02
TPSA33.90 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-1-(dibutylamino)-3-[(2-fluorophenyl)methoxy]propan-2-ol
CID 2314442
1-[(2-fluorophenyl)methoxy]-3-(propylamino)propan-2-ol
CID 60634200
1-[(2-fluorophenyl)methoxy]-3-(3-methylpentan-3-ylamino)propan-2-ol
CID 103829136
2-ethyl-2-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]propane-1,3-diol
CID 4834530
1-[(2-fluorophenyl)methoxy]-3-(2-methylpentan-3-ylamino)propan-2-ol
CID 61469296
1-fluoro-2-(2-methylbutoxymethyl)benzene
CID 91704394
[3-[[(2R)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]azaniumyl]-2,2-dimethylpropyl]-dimethylazanium
CID 2537556
3-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-3-methylpentan-1-ol
CID 103950075
2-[(2-fluorophenyl)methoxy]-1-phenylethanol
CID 63937773
1-[(2-fluorophenyl)methoxy]-3-(1,2,4-triazol-4-yl)propan-2-ol
CID 110877245
(2S)-1-[(2-fluorophenyl)methoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 2314434
1-[[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]amino]-2-methylpropan-2-ol
CID 65107673

Frequently Asked Questions

What is the IUPAC name of butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium?
The IUPAC name of butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium (CID 2314449) is butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium.
What is the SMILES notation for butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium?
The canonical SMILES for butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium is CCCC[NH+](C)C[C@H](O)COCc1ccccc1F.
What is the InChIKey of butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium?
The InChIKey is WLLPWOTUJWPARI-AWEZNQCLSA-O. The full InChI is InChI=1S/C15H24FNO2/c1-3-4-9-17(2)10-14(18)12-19-11-13-7-5-6-8-15(13)16/h5-8,14,18H,3-4,9-12H2,1-2H3/p+1/t14-/m0/s1.
What are the key properties of butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium?
butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium has a molecular weight of 270.37 g/mol, XLogP of 1.02, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(2S)-3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-methylazanium is sourced from PubChem (CID 2314449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).