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

C16H22FN3O — CID 116801803

IUPACN-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C16H22FN3O/c1-5-18-12(4)15-8-13(17)6-7-16(15)21-14-9-19-20(10-14)11(2)3/h6-12,18H,5H2,1-4H3
InChIKeyLMCVOGPZEJYVCD-UHFFFAOYSA-N
MW291.37 g/mol
LogP4.07
Rot. Bonds6

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

N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116801803) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116801803
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCCNC(C)c1cc(F)ccc1Oc1cnn(C(C)C)c1
InChIInChI=1S/C16H22FN3O/c1-5-18-12(4)15-8-13(17)6-7-16(15)21-14-9-19-20(10-14)11(2)3/h6-12,18H,5H2,1-4H3
InChIKeyLMCVOGPZEJYVCD-UHFFFAOYSA-N
XLogP4.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethyl]propan-1-amine
CID 43285523
1-[2-(2,4-dimethylphenoxy)-5-fluorophenyl]-N-ethylethanamine
CID 43285318
2-[2-[1-(ethylamino)ethyl]-4-fluorophenoxy]benzonitrile
CID 43285237
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]-N-methylethanamine
CID 116801808
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanol
CID 116802017
N-ethyl-1-(5-fluoro-2-pentoxyphenyl)ethanamine
CID 43286048
N-ethyl-1-[5-fluoro-2-(2-methylbutan-2-yloxy)phenyl]ethanamine
CID 43285833
N-ethyl-1-[5-fluoro-2-(2-methoxyethoxy)phenyl]ethanamine
CID 43285224
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
1-[5-bromo-2-(2,5-difluorophenoxy)phenyl]-N-ethylethanamine
CID 82953582
N-[1-[2-(1-methylpyrazol-4-yl)oxyphenyl]ethyl]propan-1-amine
CID 116792890
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116801803) is N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is CCNC(C)c1cc(F)ccc1Oc1cnn(C(C)C)c1.
What is the InChIKey of N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is LMCVOGPZEJYVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-5-18-12(4)15-8-13(17)6-7-16(15)21-14-9-19-20(10-14)11(2)3/h6-12,18H,5H2,1-4H3.
What are the key properties of N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116801803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).