1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol

C15H16FNO2 — CID 64814630

IUPAC1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO2/c16-13-6-8-14(9-7-13)19-11-15(18,10-17)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2
InChIKeyMNXINOFKNUXAGG-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.05
Rot. Bonds5

About 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol

1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol (PubChem CID 64814630) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
PubChem CID64814630
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Name1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol
SMILESNCC(O)(COc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C15H16FNO2/c16-13-6-8-14(9-7-13)19-11-15(18,10-17)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2
InChIKeyMNXINOFKNUXAGG-UHFFFAOYSA-N
XLogP2.05
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-3-(2,5-difluorophenoxy)-2-phenylpropan-2-ol
CID 64821682
1-amino-3-(2-phenoxyethoxy)-2-phenylpropan-2-ol
CID 64812936
2-amino-3-(4-fluorophenoxy)-2-phenylpropan-1-ol
CID 64803555
1-amino-2-phenyl-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 64814427
1-amino-3-ethoxy-2-phenylpropan-2-ol
CID 64813783
1-amino-4-(2-methoxyphenoxy)-2-phenylbutan-2-ol
CID 116696064
1-(4-methoxyphenoxy)-2-phenylpropan-2-ol
CID 62373674
2-(4-fluorophenoxy)-N-[(2S)-2-hydroxy-2-phenylpropyl]acetamide
CID 95367989
2-(4-fluorophenoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)acetamide
CID 90497968
1-amino-3-(3,4-dimethylcyclohexyl)oxy-2-phenylpropan-2-ol
CID 64813393
[3-(2,2-difluoro-2-phenylethoxy)-5-fluorophenyl]methanamine
CID 116788616
1-[4-(methylamino)phenoxy]-2-phenylpropan-2-ol
CID 62373858

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol (CID 64814630) is 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol is NCC(O)(COc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol?
The InChIKey is MNXINOFKNUXAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2/c16-13-6-8-14(9-7-13)19-11-15(18,10-17)12-4-2-1-3-5-12/h1-9,18H,10-11,17H2.
What are the key properties of 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol?
1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol has a molecular weight of 261.30 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-fluorophenoxy)-2-phenylpropan-2-ol is sourced from PubChem (CID 64814630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).