1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

C13H12ClFN2O — CID 113469619

IUPAC1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H12ClFN2O/c1-16-6-9-4-11(8-17-7-9)18-10-2-3-12(14)13(15)5-10/h2-5,7-8,16H,6H2,1H3
InChIKeyWWOSDDYNXLGRKW-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds4

About 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine

1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 113469619) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID113469619
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cncc(Oc2ccc(Cl)c(F)c2)c1
InChIInChI=1S/C13H12ClFN2O/c1-16-6-9-4-11(8-17-7-9)18-10-2-3-12(14)13(15)5-10/h2-5,7-8,16H,6H2,1H3
InChIKeyWWOSDDYNXLGRKW-UHFFFAOYSA-N
XLogP3.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(3,5-difluorophenoxy)-3-pyridinyl]-N-methylmethanamine
CID 113469602
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
3-(chloromethyl)-5-(3-fluoro-4-methylphenoxy)pyridine
CID 107169727
[5-(3-chloro-4-fluorophenoxy)-3-pyridinyl]methanamine
CID 113469610
1-[5-(4-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 107666689
1-[3-(3-chloro-4-fluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531313
5-(4-chloro-3-fluorophenoxy)pyridine-3-carboxylic acid
CID 113469493
1-[5-(4-chloro-3-fluorophenoxy)-2-propan-2-ylpyrimidin-4-yl]-N-methylmethanamine
CID 82718693
1-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 67776010
N-methyl-1-(5-quinolin-3-yloxy-3-pyridinyl)methanamine
CID 107387617
1-[3-(4-chloro-3-ethylphenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531241
1-[5-[(4-chloro-3-fluorophenyl)methoxy]-2-pyridinyl]-N-methylmethanamine
CID 107879633

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 113469619) is 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cncc(Oc2ccc(Cl)c(F)c2)c1.
What is the InChIKey of 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is WWOSDDYNXLGRKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-16-6-9-4-11(8-17-7-9)18-10-2-3-12(14)13(15)5-10/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine has a molecular weight of 266.70 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-chloro-3-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 113469619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).