1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H13FN2O — CID 81250426

IUPAC1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccccc1F
InChIInChI=1S/C13H13FN2O/c1-15-8-10-9-16-7-6-12(10)17-13-5-3-2-4-11(13)14/h2-7,9,15H,8H2,1H3
InChIKeyYIMYHRQPVWXXJN-UHFFFAOYSA-N
MW232.26 g/mol
LogP2.73
Rot. Bonds4

About 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 81250426) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID81250426
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cnccc1Oc1ccccc1F
InChIInChI=1S/C13H13FN2O/c1-15-8-10-9-16-7-6-12(10)17-13-5-3-2-4-11(13)14/h2-7,9,15H,8H2,1H3
InChIKeyYIMYHRQPVWXXJN-UHFFFAOYSA-N
XLogP2.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2-fluorophenyl)methoxy]-3-pyridinyl]-N-methylmethanamine
CID 81251244
1-[4-(2-fluorophenoxy)-6-methyl-3-pyridinyl]-N-methylmethanamine
CID 81250425
1-[4-(3-fluoro-4-methylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107170649
1-[4-(4-chlorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 81250713
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
1-[4-[4-fluoro-3-(trifluoromethyl)phenoxy]-3-pyridinyl]-N-methylmethanamine
CID 102747370
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-N-methylmethanamine
CID 113388358
N-methyl-1-(4-propoxy-3-pyridinyl)methanamine
CID 81255157
N-methyl-1-(2-pyrazin-2-yloxyphenyl)methanamine
CID 106485481
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 116690059
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
1-[3-(2-tert-butylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 105075212

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 81250426) is 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cnccc1Oc1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is YIMYHRQPVWXXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-15-8-10-9-16-7-6-12(10)17-13-5-3-2-4-11(13)14/h2-7,9,15H,8H2,1H3.
What are the key properties of 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 232.26 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 81250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).