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

C13H12ClFN2O — CID 116689944

IUPAC1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O/c1-16-8-9-4-3-7-17-13(9)18-11-6-2-5-10(14)12(11)15/h2-7,16H,8H2,1H3
InChIKeyNHDUABMCSXLPJA-UHFFFAOYSA-N
MW266.70 g/mol
LogP3.39
Rot. Bonds4

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

1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (PubChem CID 116689944) has the molecular formula C13H12ClFN2O and a molecular weight of 266.70 g/mol. Its IUPAC name is 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
PubChem CID116689944
Molecular FormulaC13H12ClFN2O
Molecular Weight266.70 g/mol
Exact Mass266.06
IUPAC Name1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine
SMILESCNCc1cccnc1Oc1cccc(Cl)c1F
InChIInChI=1S/C13H12ClFN2O/c1-16-8-9-4-3-7-17-13(9)18-11-6-2-5-10(14)12(11)15/h2-7,16H,8H2,1H3
InChIKeyNHDUABMCSXLPJA-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

N-methyl-1-[2-(2,4,5-trichlorophenoxy)-3-pyridinyl]methanamine
CID 62297762
N-methyl-1-(2-quinolin-8-yloxy-3-pyridinyl)methanamine
CID 62322209
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-2-amine
CID 105391755
1-[2-(2,3-difluorophenoxy)-3-fluoro-4-pyridinyl]-N-methylmethanamine
CID 105391448
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
N-[[2-(3-chloro-2-fluorophenoxy)-3-fluoro-4-pyridinyl]methyl]propan-1-amine
CID 105391757
3-(3-chloro-2-fluorophenoxy)pyrazine-2-carbonitrile
CID 116689023
1-[5-(3-chloro-2-fluorophenoxy)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 116690116
1-[2-(2-butan-2-ylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62322019
1-[2-[(3-bromo-2-pyridinyl)oxy]phenyl]-N-methylmethanamine
CID 106485270
1-chloro-3-(3-chloro-2-fluorophenoxy)-2-fluorobenzene
CID 141078897
3-bromo-2-(3-chloro-2-fluorophenoxy)-4-methylpyridine
CID 106878109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine (CID 116689944) is 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is CNCc1cccnc1Oc1cccc(Cl)c1F.
What is the InChIKey of 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
The InChIKey is NHDUABMCSXLPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O/c1-16-8-9-4-3-7-17-13(9)18-11-6-2-5-10(14)12(11)15/h2-7,16H,8H2,1H3.
What are the key properties of 1-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine?
1-[2-(3-chloro-2-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-[2-(3-chloro-2-fluorophenoxy)-3-pyridinyl]-N-methylmethanamine is sourced from PubChem (CID 116689944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).