1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

C14H16FN3O — CID 106895281

IUPAC1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cccnn1
InChIInChI=1S/C14H16FN3O/c1-10(16-9-11-5-4-8-17-18-11)14-12(15)6-3-7-13(14)19-2/h3-8,10,16H,9H2,1-2H3
InChIKeyWGSRWQYOIRIWRL-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.48
Rot. Bonds5

About 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine

1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (PubChem CID 106895281) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
PubChem CID106895281
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
SMILESCOc1cccc(F)c1C(C)NCc1cccnn1
InChIInChI=1S/C14H16FN3O/c1-10(16-9-11-5-4-8-17-18-11)14-12(15)6-3-7-13(14)19-2/h3-8,10,16H,9H2,1-2H3
InChIKeyWGSRWQYOIRIWRL-UHFFFAOYSA-N
XLogP2.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-6-methoxyphenyl)-N-(pyridin-4-ylmethyl)ethanamine
CID 112695110
N-benzyl-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655768
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylpropan-1-amine
CID 115704747
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-N',N'-dimethylethane-1,2-diamine
CID 113350949
1-(2-fluoro-6-methoxyphenyl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 112695118
N-[(3,4-difluorophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655779
1-(2-methoxyphenyl)-N-(pyridazin-3-ylmethyl)propan-2-amine
CID 106895370
1-(3-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895169
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-4-methoxybutan-1-amine
CID 112700153
2-[1-(2-fluoro-6-methoxyphenyl)ethylamino]acetamide
CID 115901891
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
1-(2-fluoro-6-methoxyphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]ethanamine
CID 84598501

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine (CID 106895281) is 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is COc1cccc(F)c1C(C)NCc1cccnn1.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
The InChIKey is WGSRWQYOIRIWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-10(16-9-11-5-4-8-17-18-11)14-12(15)6-3-7-13(14)19-2/h3-8,10,16H,9H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine?
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine has a molecular weight of 261.30 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine is sourced from PubChem (CID 106895281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).