(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine

C13H14FN3O2 — CID 103395933

IUPAC(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)nn2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-18-8-3-4-9(10(14)7-8)13(15)11-5-6-12(19-2)17-16-11/h3-7,13H,15H2,1-2H3
InChIKeyOJYXCVPZWUJQQA-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.68
Rot. Bonds4

About (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine

(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine (PubChem CID 103395933) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine.

Molecular Properties

Compound Name(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
PubChem CID103395933
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine
SMILESCOc1ccc(C(N)c2ccc(OC)nn2)c(F)c1
InChIInChI=1S/C13H14FN3O2/c1-18-8-3-4-9(10(14)7-8)13(15)11-5-6-12(19-2)17-16-11/h3-7,13H,15H2,1-2H3
InChIKeyOJYXCVPZWUJQQA-UHFFFAOYSA-N
XLogP1.68
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-(6-methoxypyridazin-3-yl)methanamine
CID 103374032
(2-fluoro-4-methoxyphenyl)-pyrimidin-4-ylmethanamine
CID 103395544
(1R)-2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethanamine
CID 130665860
(2-fluoro-4-methoxyphenyl)-pyrimidin-2-ylmethanamine
CID 103395513
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
(2,5-difluoro-4-methylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882947
(2,4-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561229
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 102882911
(2-fluoro-4-methoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 102882564
(2,4-dimethylphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561246
(2,6-dimethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561193
(4-bromophenyl)-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561243

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The IUPAC name of (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine (CID 103395933) is (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine.
What is the SMILES notation for (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The canonical SMILES for (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine is COc1ccc(C(N)c2ccc(OC)nn2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
The InChIKey is OJYXCVPZWUJQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-18-8-3-4-9(10(14)7-8)13(15)11-5-6-12(19-2)17-16-11/h3-7,13H,15H2,1-2H3.
What are the key properties of (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine?
(2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine has a molecular weight of 263.27 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methoxyphenyl)-(6-methoxypyridazin-3-yl)methanamine is sourced from PubChem (CID 103395933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).