(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine

C15H12F2N2O — CID 83125635

IUPAC(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCc1c(C(N)c2ccc(F)cn2)oc2cc(F)ccc12
InChIInChI=1S/C15H12F2N2O/c1-8-11-4-2-9(16)6-13(11)20-15(8)14(18)12-5-3-10(17)7-19-12/h2-7,14H,18H2,1H3
InChIKeyUXBYRBYMKYHCJU-UHFFFAOYSA-N
MW274.27 g/mol
LogP3.46
Rot. Bonds2

About (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine

(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine (PubChem CID 83125635) has the molecular formula C15H12F2N2O and a molecular weight of 274.27 g/mol. Its IUPAC name is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine.

Molecular Properties

Compound Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
PubChem CID83125635
Molecular FormulaC15H12F2N2O
Molecular Weight274.27 g/mol
Exact Mass274.09
IUPAC Name(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine
SMILESCc1c(C(N)c2ccc(F)cn2)oc2cc(F)ccc12
InChIInChI=1S/C15H12F2N2O/c1-8-11-4-2-9(16)6-13(11)20-15(8)14(18)12-5-3-10(17)7-19-12/h2-7,14H,18H2,1H3
InChIKeyUXBYRBYMKYHCJU-UHFFFAOYSA-N
XLogP3.46
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dichlorophenyl)-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63067697
(3,6-dimethyl-1-benzofuran-2-yl)-pyridin-2-ylmethanamine
CID 63640631
cyclopentyl-(6-fluoro-3-methyl-1-benzofuran-2-yl)methanamine
CID 63068378
(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methanamine
CID 79722165
(5-fluoro-2-pyridinyl)-(5-methyl-3-pyridinyl)methanamine
CID 115374873
(5-chloro-3-methyl-1-benzofuran-2-yl)-(2,4-difluorophenyl)methanamine
CID 62073399
(5-fluoro-2-pyridinyl)-(4-methoxy-2-methylphenyl)methanamine
CID 79722314
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-2-propan-2-yloxyethanamine
CID 105168110
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 105092272
(2-fluorophenyl)-(6-methoxy-3-methyl-1-benzofuran-2-yl)methanamine
CID 43149528
2-(1-chloro-2-methylpropyl)-5-fluoro-3-methyl-1-benzofuran
CID 66778604
1-(5-fluoro-3-methyl-1-benzofuran-2-yl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 105148590

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine?
The IUPAC name of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine (CID 83125635) is (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine.
What is the SMILES notation for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine?
The canonical SMILES for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine is Cc1c(C(N)c2ccc(F)cn2)oc2cc(F)ccc12.
What is the InChIKey of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine?
The InChIKey is UXBYRBYMKYHCJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N2O/c1-8-11-4-2-9(16)6-13(11)20-15(8)14(18)12-5-3-10(17)7-19-12/h2-7,14H,18H2,1H3.
What are the key properties of (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine?
(6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine has a molecular weight of 274.27 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3-methyl-1-benzofuran-2-yl)-(5-fluoro-2-pyridinyl)methanamine is sourced from PubChem (CID 83125635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).