1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine

C13H13FN2 — CID 61026213

IUPAC1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2)ccc1F
InChIInChI=1S/C13H13FN2/c1-15-8-12-7-10(4-5-13(12)14)11-3-2-6-16-9-11/h2-7,9,15H,8H2,1H3
InChIKeyYTSFXFIAYDLOGY-UHFFFAOYSA-N
MW216.26 g/mol
LogP2.61
Rot. Bonds3

About 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine

1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine (PubChem CID 61026213) has the molecular formula C13H13FN2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
PubChem CID61026213
Molecular FormulaC13H13FN2
Molecular Weight216.26 g/mol
Exact Mass216.11
IUPAC Name1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine
SMILESCNCc1cc(-c2cccnc2)ccc1F
InChIInChI=1S/C13H13FN2/c1-15-8-12-7-10(4-5-13(12)14)11-3-2-6-16-9-11/h2-7,9,15H,8H2,1H3
InChIKeyYTSFXFIAYDLOGY-UHFFFAOYSA-N
XLogP2.61
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-5-pyridin-3-ylphenyl)acetic acid
CID 46315790
1-[5-(4-chlorophenyl)-2-fluorophenyl]-N-methylmethanamine
CID 54911684
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]ethanamine
CID 54911873
N-[(2-fluoro-4-pyridin-3-ylphenyl)methyl]cyclopropanamine
CID 54911922
4-fluoro-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033379
1-[2-fluoro-5-(4-methoxyphenyl)phenyl]-N-methylmethanamine
CID 54911708
3-(4-fluoro-3-propan-2-ylphenyl)pyridine
CID 83381583
2-fluoro-5-pyridin-3-ylbenzoyl chloride
CID 46315592
1-[5-(2,3-dihydro-1H-inden-5-yl)-2-fluorophenyl]-N-methylmethanamine
CID 54910232
1-[5-(4-cyclobutylphenyl)-2-fluorophenyl]-N-methylmethanamine
CID 116506604
1-(2-fluoro-5-thiophen-2-ylphenyl)-N-methylmethanamine
CID 61104003
1-[2-fluoro-5-(3-methyltriazol-4-yl)phenyl]-N-methylmethanamine
CID 114689798

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine?
The IUPAC name of 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine (CID 61026213) is 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine is CNCc1cc(-c2cccnc2)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine?
The InChIKey is YTSFXFIAYDLOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2/c1-15-8-12-7-10(4-5-13(12)14)11-3-2-6-16-9-11/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine?
1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine has a molecular weight of 216.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-pyridin-3-ylphenyl)-N-methylmethanamine is sourced from PubChem (CID 61026213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).