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

C14H14ClFN2O — CID 82716590

IUPACN-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-8-10-3-6-14(18-9-10)19-11-4-5-12(15)13(16)7-11/h3-7,9,17H,2,8H2,1H3
InChIKeyYNHVIVQXYUDOPV-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.78
Rot. Bonds5

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

N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (PubChem CID 82716590) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
PubChem CID82716590
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC NameN-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(Cl)c(F)c2)nc1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-8-10-3-6-14(18-9-10)19-11-4-5-12(15)13(16)7-11/h3-7,9,17H,2,8H2,1H3
InChIKeyYNHVIVQXYUDOPV-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

2-(4-chloro-3-fluorophenoxy)-5-(chloromethyl)pyridine
CID 82716658
N-[[6-(3-fluoro-4-nitrophenoxy)-3-pyridinyl]methyl]ethanamine
CID 80639066
N-[[6-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296038
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62322080
N-[[6-(4-bromophenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297130
N-[[6-(3,5-dimethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62297385
N-[[6-(3-ethylphenoxy)-3-pyridinyl]methyl]ethanamine
CID 62296868
N-[[6-(3,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methoxyethanamine
CID 80638854
N-[[6-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]ethanamine
CID 62291138
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834
N-[[3-[(4-chloro-3-fluorophenoxy)methyl]phenyl]methyl]ethanamine
CID 82727587
N-[[6-[(4-chlorophenyl)methoxy]-3-pyridinyl]methyl]ethanamine
CID 65125152

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine (CID 82716590) is N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(Cl)c(F)c2)nc1.
What is the InChIKey of N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
The InChIKey is YNHVIVQXYUDOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-8-10-3-6-14(18-9-10)19-11-4-5-12(15)13(16)7-11/h3-7,9,17H,2,8H2,1H3.
What are the key properties of N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine?
N-[[6-(4-chloro-3-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-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 82716590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).