1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

C14H18FN3O — CID 116801704

IUPAC1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(F)c2C(C)N)cn1
InChIInChI=1S/C14H18FN3O/c1-3-7-18-9-11(8-17-18)19-13-6-4-5-12(15)14(13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3
InChIKeyDWUFHRFUYXMMHZ-UHFFFAOYSA-N
MW263.32 g/mol
LogP3.24
Rot. Bonds5

About 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine

1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116801704) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116801704
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCCn1cc(Oc2cccc(F)c2C(C)N)cn1
InChIInChI=1S/C14H18FN3O/c1-3-7-18-9-11(8-17-18)19-13-6-4-5-12(15)14(13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3
InChIKeyDWUFHRFUYXMMHZ-UHFFFAOYSA-N
XLogP3.24
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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-methoxy-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 104893552
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
N-[1-[2-(1-ethylpyrazol-4-yl)oxy-6-fluorophenyl]ethyl]propan-1-amine
CID 116801654
N-[[5-fluoro-2-(1-propylpyrazol-4-yl)oxyphenyl]methyl]propan-2-amine
CID 116802309
2-[4-(2-fluorophenoxy)pyrazol-1-yl]ethanol
CID 117124831
[4-[2-[(1S)-1-aminoethyl]-3-fluorophenoxy]phenyl]methanol
CID 78938263
1-[2-(4-butan-2-ylphenoxy)-6-fluorophenyl]ethanamine
CID 107665361
1-[2-(1-propylpyrazol-4-yl)oxyphenyl]propan-1-one
CID 116801605
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzonitrile
CID 116801252
2-(1-butylpyrazol-4-yl)oxyaniline
CID 166174631
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
2-bromo-6-(1-propylpyrazol-4-yl)oxybenzoic acid
CID 114888731

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116801704) is 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is CCCn1cc(Oc2cccc(F)c2C(C)N)cn1.
What is the InChIKey of 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is DWUFHRFUYXMMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-3-7-18-9-11(8-17-18)19-13-6-4-5-12(15)14(13)10(2)16/h4-6,8-10H,3,7,16H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine?
1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 263.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116801704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).