1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

C15H20FN3O — CID 104695143

IUPAC1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCc2ccnn2C)cc1F
InChIInChI=1S/C15H20FN3O/c1-11(12-4-5-15(20-3)14(16)10-12)17-8-6-13-7-9-18-19(13)2/h4-5,7,9-11,17H,6,8H2,1-3H3
InChIKeyAKJIVCYOLDOCCN-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.46
Rot. Bonds6

About 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine

1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (PubChem CID 104695143) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
PubChem CID104695143
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
SMILESCOc1ccc(C(C)NCCc2ccnn2C)cc1F
InChIInChI=1S/C15H20FN3O/c1-11(12-4-5-15(20-3)14(16)10-12)17-8-6-13-7-9-18-19(13)2/h4-5,7,9-11,17H,6,8H2,1-3H3
InChIKeyAKJIVCYOLDOCCN-UHFFFAOYSA-N
XLogP2.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluoro-3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 82885094
2-[[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]amino]ethanol
CID 29039036
1-(3-fluoro-4-methoxyphenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515412
1-(3-fluoro-4-methoxyphenyl)-N-(2-methylsulfanylethyl)ethanamine
CID 60697209
1-[4-(difluoromethoxy)phenyl]-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 104693888
1-(3-fluoro-4-methoxyphenyl)-N-(2-thiomorpholin-4-ylethyl)ethanamine
CID 103783201
(1R)-1-(3-methylphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 103001774
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 104693840
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,3-dimethylbutan-1-amine
CID 60697208
(1S)-1-[3-fluoro-4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanol
CID 103003611
1-(3-fluoro-4-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43225826
4-[1-[2-(2-methylpyrazol-3-yl)ethylamino]ethyl]benzonitrile
CID 104693858

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine (CID 104695143) is 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is COc1ccc(C(C)NCCc2ccnn2C)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
The InChIKey is AKJIVCYOLDOCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c1-11(12-4-5-15(20-3)14(16)10-12)17-8-6-13-7-9-18-19(13)2/h4-5,7,9-11,17H,6,8H2,1-3H3.
What are the key properties of 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine?
1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine has a molecular weight of 277.34 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methoxyphenyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104695143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).