1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

C14H18FN3O — CID 81305139

IUPAC1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccc(OC)cc1F
InChIInChI=1S/C14H18FN3O/c1-16-14(6-10-8-17-18(2)9-10)12-5-4-11(19-3)7-13(12)15/h4-5,7-9,14,16H,6H2,1-3H3
InChIKeyAJZBCDKWUGZWSS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.07
Rot. Bonds5

About 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine

1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (PubChem CID 81305139) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
PubChem CID81305139
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
SMILESCNC(Cc1cnn(C)c1)c1ccc(OC)cc1F
InChIInChI=1S/C14H18FN3O/c1-16-14(6-10-8-17-18(2)9-10)12-5-4-11(19-3)7-13(12)15/h4-5,7-9,14,16H,6H2,1-3H3
InChIKeyAJZBCDKWUGZWSS-UHFFFAOYSA-N
XLogP2.07
TPSA39.08 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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
N-ethyl-1-(2-fluoro-4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103011751
1-(2-fluoro-4-methoxyphenyl)-2-(4-fluorophenyl)-N-methylethanamine
CID 43561357
1-(2-fluoro-4-methoxyphenyl)-2-(4-iodophenyl)-N-methylethanamine
CID 81305355
1-(2-fluoro-4-methoxyphenyl)-2-(3-fluorophenyl)-N-methylethanamine
CID 43561440
2-(2,5-dimethylpyrazol-3-yl)-1-(2-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 81304748
1-(2,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103010034
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
[1-(3-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethyl]hydrazine
CID 105191715
3,3,3-trifluoro-1-(2-fluoro-4-methoxyphenyl)-N-methylpropan-1-amine
CID 43561384
1-[2-(difluoromethoxy)phenyl]-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 115821686
1-(2-chlorophenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 55040623

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine (CID 81305139) is 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is CNC(Cc1cnn(C)c1)c1ccc(OC)cc1F.
What is the InChIKey of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
The InChIKey is AJZBCDKWUGZWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-16-14(6-10-8-17-18(2)9-10)12-5-4-11(19-3)7-13(12)15/h4-5,7-9,14,16H,6H2,1-3H3.
What are the key properties of 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine?
1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine has a molecular weight of 263.32 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-4-methoxyphenyl)-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 81305139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).