N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine

C14H14ClFN2O — CID 116690059

IUPACN-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c1-2-17-8-10-9-18-7-6-12(10)19-13-5-3-4-11(15)14(13)16/h3-7,9,17H,2,8H2,1H3
InChIKeyOSFOYBFGXBLHCI-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.78
Rot. Bonds5

About N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine

N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 116690059) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID116690059
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1Oc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c1-2-17-8-10-9-18-7-6-12(10)19-13-5-3-4-11(15)14(13)16/h3-7,9,17H,2,8H2,1H3
InChIKeyOSFOYBFGXBLHCI-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methanamine
CID 116689981
N-[[2-chloro-6-(3-chloro-2-fluorophenoxy)phenyl]methyl]ethanamine
CID 116689563
N-[[4-(2,3-difluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 81250606
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422
N-[[4-(4-bromo-2-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81251297
[3-(3-chloro-2-fluorophenoxy)-4-pyridinyl]methanol
CID 105067223
N-[[2-(3-chloro-2-fluorophenoxy)pyrimidin-5-yl]methyl]ethanamine
CID 116689543
N-[[6-(3-chloro-2-fluorophenoxy)-5-methyl-3-pyridinyl]methyl]ethanamine
CID 116689576
N-[[4-(2-bromo-4-chlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250588
N-[[4-(4-chloro-3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250523
N-[[2-(3-chloro-2-fluorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 116689588
N-[[2-(2,3-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]ethanamine
CID 105391049

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 116690059) is N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1Oc1cccc(Cl)c1F.
What is the InChIKey of N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is OSFOYBFGXBLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-8-10-9-18-7-6-12(10)19-13-5-3-4-11(15)14(13)16/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine has a molecular weight of 280.73 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-2-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 116690059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).