(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine

C15H14FN3O — CID 105186511

IUPAC(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(F)c3o2)c(C)nn1
InChIInChI=1S/C15H14FN3O/c1-8-6-11(9(2)19-18-8)14(17)13-7-10-4-3-5-12(16)15(10)20-13/h3-7,14H,17H2,1-2H3
InChIKeyMSLHTOZRWRFHAE-UHFFFAOYSA-N
MW271.30 g/mol
LogP3.03
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine

(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine (PubChem CID 105186511) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
PubChem CID105186511
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine
SMILESCc1cc(C(N)c2cc3cccc(F)c3o2)c(C)nn1
InChIInChI=1S/C15H14FN3O/c1-8-6-11(9(2)19-18-8)14(17)13-7-10-4-3-5-12(16)15(10)20-13/h3-7,14H,17H2,1-2H3
InChIKeyMSLHTOZRWRFHAE-UHFFFAOYSA-N
XLogP3.03
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,3-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047575
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 106858732
(7-fluoro-1-benzofuran-2-yl)-(2-methylpyrimidin-4-yl)methanamine
CID 114730572
(2-ethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 105047565
(2-chloro-4-fluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 115957488
(4-bromo-3,5-dimethylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114731507
(7-fluoro-1-benzofuran-2-yl)-(4-fluorophenyl)methanamine
CID 112614615
1-benzofuran-3-yl-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 114730676
(4-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanamine
CID 112614586
(2,6-dimethyl-3-pyridinyl)-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185520
1-(3,6-dimethylpyridazin-4-yl)-N-methyl-1-(7-methyl-1-benzofuran-2-yl)methanamine
CID 105185509
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine (CID 105186511) is (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine is Cc1cc(C(N)c2cc3cccc(F)c3o2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
The InChIKey is MSLHTOZRWRFHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-8-6-11(9(2)19-18-8)14(17)13-7-10-4-3-5-12(16)15(10)20-13/h3-7,14H,17H2,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine?
(3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine has a molecular weight of 271.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-(7-fluoro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 105186511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).