2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol

C13H20FNO3 — CID 83944144

IUPAC2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
SMILESCCCOc1ccc(F)cc1C(O)C(N)CCO
InChIInChI=1S/C13H20FNO3/c1-2-7-18-12-4-3-9(14)8-10(12)13(17)11(15)5-6-16/h3-4,8,11,13,16-17H,2,5-7,15H2,1H3
InChIKeyYOWUPZHWFACDJC-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.36
Rot. Bonds7

About 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol

2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol (PubChem CID 83944144) has the molecular formula C13H20FNO3 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
PubChem CID83944144
Molecular FormulaC13H20FNO3
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol
SMILESCCCOc1ccc(F)cc1C(O)C(N)CCO
InChIInChI=1S/C13H20FNO3/c1-2-7-18-12-4-3-9(14)8-10(12)13(17)11(15)5-6-16/h3-4,8,11,13,16-17H,2,5-7,15H2,1H3
InChIKeyYOWUPZHWFACDJC-UHFFFAOYSA-N
XLogP1.36
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-(dimethylamino)-1-(2-ethoxy-5-fluorophenyl)butan-1-ol
CID 83944016
1-(2-ethoxy-5-fluorophenyl)butane-1,2,4-triol
CID 171872620
5-(5-fluoro-2-propoxyphenyl)heptan-2-amine
CID 83944184
1-amino-4-(5-fluoro-2-propoxyphenyl)pentan-2-ol
CID 83944229
2-(aminomethyl)-4-(5-fluoro-2-propoxyphenyl)pentan-1-ol
CID 83944138
(1R)-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 63370186
2-amino-1-(5-chloro-2-propoxyphenyl)-4-(methylamino)butan-1-ol
CID 83933377
1-(5-fluoro-2-propoxyphenyl)propan-2-amine
CID 103694484
2-amino-4-(dimethylamino)-1-(5-fluoro-2-methoxyphenyl)butan-1-ol
CID 83943899
(5-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanamine
CID 104660036
(1S)-1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanamine
CID 29003282
2-amino-1-(5-bromo-2-methoxyphenyl)butane-1,4-diol
CID 83933754

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol?
The IUPAC name of 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol (CID 83944144) is 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol?
The canonical SMILES for 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol is CCCOc1ccc(F)cc1C(O)C(N)CCO.
What is the InChIKey of 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol?
The InChIKey is YOWUPZHWFACDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO3/c1-2-7-18-12-4-3-9(14)8-10(12)13(17)11(15)5-6-16/h3-4,8,11,13,16-17H,2,5-7,15H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol?
2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol has a molecular weight of 257.30 g/mol, XLogP of 1.36, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2-propoxyphenyl)butane-1,4-diol is sourced from PubChem (CID 83944144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).