N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine

C14H14ClFN2O — CID 55257457

IUPACN-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-9-10-4-3-5-14(18-10)19-11-6-7-13(16)12(15)8-11/h3-8,17H,2,9H2,1H3
InChIKeyWAXUUWLRZGBSDM-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.78
Rot. Bonds5

About N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 55257457) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID55257457
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(Oc2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-9-10-4-3-5-14(18-10)19-11-6-7-13(16)12(15)8-11/h3-8,17H,2,9H2,1H3
InChIKeyWAXUUWLRZGBSDM-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

N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
N-[[6-(2,3-dihydro-1H-inden-5-yloxy)-2-pyridinyl]methyl]ethanamine
CID 62322027
N-[[6-(2-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295900
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
N-[[4-chloro-2-(3-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 114857375
1-[6-(4-chlorophenoxy)-2-pyridinyl]-N-methylmethanamine
CID 62298182
N-[[5-(3-chloro-4-fluorophenoxy)pyrazin-2-yl]methyl]propan-1-amine
CID 107382158
N-[[6-(4-chloro-3-methylphenoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62296527
N-[[6-[(4-fluoro-3-methylphenoxy)methyl]-2-pyridinyl]methyl]ethanamine
CID 106908554
[6-(3,4-difluorophenoxy)-2-pyridinyl]methanol
CID 55053415
6-(3,4-dichlorophenoxy)-N-ethylpyridin-2-amine
CID 80874477
[3-chloro-6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methanamine
CID 63879706

Frequently Asked Questions

What is the IUPAC name of N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine (CID 55257457) is N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(Oc2ccc(F)c(Cl)c2)n1.
What is the InChIKey of N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is WAXUUWLRZGBSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-9-10-4-3-5-14(18-10)19-11-6-7-13(16)12(15)8-11/h3-8,17H,2,9H2,1H3.
What are the key properties of N-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-(3-chloro-4-fluorophenoxy)-2-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-[[6-(3-chloro-4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 55257457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).