N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

C16H22FN3O — CID 115953319

IUPACN-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1ccn(C(C)C)n1
InChIInChI=1S/C16H22FN3O/c1-4-18-10-13-6-5-7-15(17)16(13)21-11-14-8-9-20(19-14)12(2)3/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeyXZYOKUOFBYSHFT-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.29
Rot. Bonds7

About N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine

N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (PubChem CID 115953319) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
PubChem CID115953319
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC NameN-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
SMILESCCNCc1cccc(F)c1OCc1ccn(C(C)C)n1
InChIInChI=1S/C16H22FN3O/c1-4-18-10-13-6-5-7-15(17)16(13)21-11-14-8-9-20(19-14)12(2)3/h5-9,12,18H,4,10-11H2,1-3H3
InChIKeyXZYOKUOFBYSHFT-UHFFFAOYSA-N
XLogP3.29
TPSA39.08 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-[(2,3-difluorophenyl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953355
N-[[3-fluoro-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethoxy)phenyl]methyl]ethanamine
CID 115953331
N-[[3-fluoro-2-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]ethanamine
CID 112609567
N-[[3-fluoro-2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 112609626
N-[[3-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methyl]ethanamine
CID 115953307
N-[[2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]-3-fluorophenyl]methyl]ethanamine
CID 115953378
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-2-methylpropanamide
CID 112609547
N-[[3-fluoro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 112609536
N-[[3-fluoro-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 115953311
N-[[3-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methoxy]phenyl]methyl]ethanamine
CID 115953321
3-[2-(ethylaminomethyl)-6-fluorophenoxy]-1,1,1-trifluoropropan-2-ol
CID 112609565
3-[[2-bromo-6-(chloromethyl)phenoxy]methyl]-1-propan-2-ylpyrazole
CID 64771488

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine (CID 115953319) is N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is CCNCc1cccc(F)c1OCc1ccn(C(C)C)n1.
What is the InChIKey of N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
The InChIKey is XZYOKUOFBYSHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-4-18-10-13-6-5-7-15(17)16(13)21-11-14-8-9-20(19-14)12(2)3/h5-9,12,18H,4,10-11H2,1-3H3.
What are the key properties of N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine?
N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine has a molecular weight of 291.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine is sourced from PubChem (CID 115953319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).