2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol

C24H26FNO3 — CID 46201891

IUPAC2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1
InChIInChI=1S/C24H26FNO3/c25-23-14-21(29-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-28/h1-11,14,27-28H,12-13,15-17,26H2
InChIKeyZGIUEAVSHZETPJ-UHFFFAOYSA-N
MW395.47 g/mol
LogP3.69
Rot. Bonds9

About 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol

2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol (PubChem CID 46201891) has the molecular formula C24H26FNO3 and a molecular weight of 395.47 g/mol. Its IUPAC name is 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol.

Molecular Properties

Compound Name2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol
PubChem CID46201891
Molecular FormulaC24H26FNO3
Molecular Weight395.47 g/mol
Exact Mass395.19
IUPAC Name2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol
SMILESNC(CO)(CO)CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1
InChIInChI=1S/C24H26FNO3/c25-23-14-21(29-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-28/h1-11,14,27-28H,12-13,15-17,26H2
InChIKeyZGIUEAVSHZETPJ-UHFFFAOYSA-N
XLogP3.69
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.47
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol?
The IUPAC name of 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol (CID 46201891) is 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol.
What is the SMILES notation for 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol?
The canonical SMILES for 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol is NC(CO)(CO)CCc1ccc(-c2ccc(OCc3ccccc3)cc2F)cc1.
What is the InChIKey of 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol?
The InChIKey is ZGIUEAVSHZETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO3/c25-23-14-21(29-15-19-4-2-1-3-5-19)10-11-22(23)20-8-6-18(7-9-20)12-13-24(26,16-27)17-28/h1-11,14,27-28H,12-13,15-17,26H2.
What are the key properties of 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol?
2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol has a molecular weight of 395.47 g/mol, XLogP of 3.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol is sourced from PubChem (CID 46201891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).