2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

C14H18FN3O — CID 106533565

IUPAC2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2cc(F)cc(CCN)c2)cn1
InChIInChI=1S/C14H18FN3O/c1-10(2)18-9-14(8-17-18)19-13-6-11(3-4-16)5-12(15)7-13/h5-10H,3-4,16H2,1-2H3
InChIKeyVXHOBDZTFYCIBB-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.90
Rot. Bonds5

About 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 106533565) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID106533565
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2cc(F)cc(CCN)c2)cn1
InChIInChI=1S/C14H18FN3O/c1-10(2)18-9-14(8-17-18)19-13-6-11(3-4-16)5-12(15)7-13/h5-10H,3-4,16H2,1-2H3
InChIKeyVXHOBDZTFYCIBB-UHFFFAOYSA-N
XLogP2.90
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804257
2-[3-(1-ethylpyrazol-4-yl)oxy-5-fluorophenyl]ethanamine
CID 106533557
2-[3-fluoro-5-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533561
N-[[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methyl]cyclopropanamine
CID 106533566
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
2-[3-fluoro-5-(4-propan-2-ylphenoxy)phenyl]ethanamine
CID 106533283
2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
CID 167429894
2-[3-(3,4-difluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533423
2-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 106533476
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
3-(1-propan-2-ylpyrazol-4-yl)oxy-5-(trifluoromethyl)aniline
CID 116800544
[3-fluoro-5-(1-methylpyrazol-4-yl)oxyphenyl]methanol
CID 106530236

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (CID 106533565) is 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is CC(C)n1cc(Oc2cc(F)cc(CCN)c2)cn1.
What is the InChIKey of 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is VXHOBDZTFYCIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-10(2)18-9-14(8-17-18)19-13-6-11(3-4-16)5-12(15)7-13/h5-10H,3-4,16H2,1-2H3.
What are the key properties of 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 106533565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).