N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

C15H20FN3O — CID 115768061

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cn(C)nc1C
InChIInChI=1S/C15H20FN3O/c1-10-12(9-19(3)18-10)8-17-11(2)15-13(16)6-5-7-14(15)20-4/h5-7,9,11,17H,8H2,1-4H3
InChIKeyVKAWFGSXCYYHIV-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.73
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (PubChem CID 115768061) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
PubChem CID115768061
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cn(C)nc1C
InChIInChI=1S/C15H20FN3O/c1-10-12(9-19(3)18-10)8-17-11(2)15-13(16)6-5-7-14(15)20-4/h5-7,9,11,17H,8H2,1-4H3
InChIKeyVKAWFGSXCYYHIV-UHFFFAOYSA-N
XLogP2.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 83088565
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)ethanamine
CID 83089484
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
(1S)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 83088818
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501
(1R)-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methylphenyl)ethanamine
CID 83089241
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine (CID 115768061) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is COc1cccc(F)c1C(C)NCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
The InChIKey is VKAWFGSXCYYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-10-12(9-19(3)18-10)8-17-11(2)15-13(16)6-5-7-14(15)20-4/h5-7,9,11,17H,8H2,1-4H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine is sourced from PubChem (CID 115768061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).