1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H12F2N2O — CID 113469602

IUPAC1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H12F2N2O/c1-16-6-9-2-13(8-17-7-9)18-12-4-10(14)3-11(15)5-12/h2-5,7-8,16H,6H2,1H3
InChIKeyUSBYJSHJDYDEBZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.87
Rot. Bonds4

About 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 113469602) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID113469602
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2cc(F)cc(F)c2)c1
InChIInChI=1S/C13H12F2N2O/c1-16-6-9-2-13(8-17-7-9)18-12-4-10(14)3-11(15)5-12/h2-5,7-8,16H,6H2,1H3
InChIKeyUSBYJSHJDYDEBZ-UHFFFAOYSA-N
XLogP2.87
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469619
1-[5-(4-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666689
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]propan-1-amine
CID 106533487
1-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531226
1-[4-(3,5-difluorophenoxy)-3-fluorophenyl]-N-methylmethanamine
CID 55112432
1-[3-(3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531179
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
N-[[3-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]methyl]cyclopropanamine
CID 106533490
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
1-[3-(4-chloro-2,6-dimethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531190

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 113469602) is 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cncc(Oc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is USBYJSHJDYDEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c1-16-6-9-2-13(8-17-7-9)18-12-4-10(14)3-11(15)5-12/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 250.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113469602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).