1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

C12H13FN2O — CID 105038078

IUPAC1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)c1ccncc1F
InChIInChI=1S/C12H13FN2O/c1-8-3-4-11(16-8)12(14-2)9-5-6-15-7-10(9)13/h3-7,12,14H,1-2H3
InChIKeyAZYZAWQJEJOMSH-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.43
Rot. Bonds3

About 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (PubChem CID 105038078) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
PubChem CID105038078
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine
SMILESCNC(c1ccc(C)o1)c1ccncc1F
InChIInChI=1S/C12H13FN2O/c1-8-3-4-11(16-8)12(14-2)9-5-6-15-7-10(9)13/h3-7,12,14H,1-2H3
InChIKeyAZYZAWQJEJOMSH-UHFFFAOYSA-N
XLogP2.43
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-4-pyridinyl)-N-methyl-1-(2-methylpyrimidin-4-yl)methanamine
CID 104738640
1-(2,5-dimethylpyrazol-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 105182032
1-(1-benzofuran-3-yl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 104738663
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105181850
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(1-methylpyrazol-3-yl)methanamine
CID 104738299
1-(4-chloro-3-fluorophenyl)-1-(3-fluoro-4-pyridinyl)-N-methylmethanamine
CID 114025401
[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
1-(3-fluoro-4-pyridinyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-N-methylmethanamine
CID 114659373
1-(3-fluoro-4-pyridinyl)-N-methyl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanamine
CID 106783582
[(3-fluoro-4-pyridinyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269064
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 114730648
1-(2,4-difluorophenyl)-1-(3-methoxy-4-pyridinyl)-N-methylmethanamine
CID 105065529

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine (CID 105038078) is 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is CNC(c1ccc(C)o1)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
The InChIKey is AZYZAWQJEJOMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O/c1-8-3-4-11(16-8)12(14-2)9-5-6-15-7-10(9)13/h3-7,12,14H,1-2H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine?
1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine has a molecular weight of 220.25 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)methanamine is sourced from PubChem (CID 105038078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).