2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol

C15H14F3NO2 — CID 170893583

IUPAC2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
SMILESNC(CO)Cc1cc(F)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO2/c16-10-1-3-14(9(5-10)6-12(19)8-20)21-15-4-2-11(17)7-13(15)18/h1-5,7,12,20H,6,8,19H2
InChIKeyGVXHEHRQQWIRRG-UHFFFAOYSA-N
MW297.28 g/mol
LogP2.76
Rot. Bonds5

About 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol

2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol (PubChem CID 170893583) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
PubChem CID170893583
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
SMILESNC(CO)Cc1cc(F)ccc1Oc1ccc(F)cc1F
InChIInChI=1S/C15H14F3NO2/c16-10-1-3-14(9(5-10)6-12(19)8-20)21-15-4-2-11(17)7-13(15)18/h1-5,7,12,20H,6,8,19H2
InChIKeyGVXHEHRQQWIRRG-UHFFFAOYSA-N
XLogP2.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
CID 170891936
2-amino-3-[2-(4-fluorophenoxy)phenyl]propan-1-ol
CID 170892625
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167
1-[4-chloro-2-(2,4-difluorophenoxy)phenyl]butan-2-amine
CID 114862712
2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol
CID 170892609
N-[[2-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 43314106
1-[2-(4-bromo-3-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 65202987
2-amino-3-[2-(2,4-difluorophenoxy)-1-methylindol-3-yl]propan-1-ol;hydrochloride
CID 170892608
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
1-[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]butan-2-amine
CID 116690754

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol?
The IUPAC name of 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol (CID 170893583) is 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol.
What is the SMILES notation for 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol?
The canonical SMILES for 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol is NC(CO)Cc1cc(F)ccc1Oc1ccc(F)cc1F.
What is the InChIKey of 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol?
The InChIKey is GVXHEHRQQWIRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-10-1-3-14(9(5-10)6-12(19)8-20)21-15-4-2-11(17)7-13(15)18/h1-5,7,12,20H,6,8,19H2.
What are the key properties of 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol?
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol has a molecular weight of 297.28 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol is sourced from PubChem (CID 170893583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).