2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine

C16H22FN3O — CID 107700343

IUPAC2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
SMILESCCc1cc(COc2ccc(F)cc2CCN)n(CC)n1
InChIInChI=1S/C16H22FN3O/c1-3-14-10-15(20(4-2)19-14)11-21-16-6-5-13(17)9-12(16)7-8-18/h5-6,9-10H,3-4,7-8,11,18H2,1-2H3
InChIKeyYUNJAGXEZXJVQD-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.68
Rot. Bonds7

About 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine

2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine (PubChem CID 107700343) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
PubChem CID107700343
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine
SMILESCCc1cc(COc2ccc(F)cc2CCN)n(CC)n1
InChIInChI=1S/C16H22FN3O/c1-3-14-10-15(20(4-2)19-14)11-21-16-6-5-13(17)9-12(16)7-8-18/h5-6,9-10H,3-4,7-8,11,18H2,1-2H3
InChIKeyYUNJAGXEZXJVQD-UHFFFAOYSA-N
XLogP2.68
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]methanol
CID 107698448
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]phenyl]ethanol
CID 107713078
2-[5-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]ethanamine
CID 107700400
2-[2-[(2,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107700281
2-[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700129
2-[2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methoxy]-5-fluorophenyl]ethanamine
CID 107700439
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
2-[(1,3-diethylpyrazol-5-yl)methoxy]-6-fluorobenzoic acid
CID 107014090
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[5-fluoro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 107700337
2-[5-fluoro-2-[(3-methyl-1,2-oxazol-5-yl)methoxy]phenyl]ethanamine
CID 107700392
2-[5-fluoro-2-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]ethanamine
CID 107700166

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine?
The IUPAC name of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine (CID 107700343) is 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine.
What is the SMILES notation for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine?
The canonical SMILES for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine is CCc1cc(COc2ccc(F)cc2CCN)n(CC)n1.
What is the InChIKey of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine?
The InChIKey is YUNJAGXEZXJVQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-3-14-10-15(20(4-2)19-14)11-21-16-6-5-13(17)9-12(16)7-8-18/h5-6,9-10H,3-4,7-8,11,18H2,1-2H3.
What are the key properties of 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine?
2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1,3-diethylpyrazol-5-yl)methoxy]-5-fluorophenyl]ethanamine is sourced from PubChem (CID 107700343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).