4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine

C14H14ClFN2O — CID 116689918

IUPAC4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-13-8-10(6-7-18-13)9-19-12-5-3-4-11(15)14(12)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFYWPSTUXONDZQV-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.88
Rot. Bonds5

About 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine

4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine (PubChem CID 116689918) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
PubChem CID116689918
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
SMILESCCNc1cc(COc2cccc(Cl)c2F)ccn1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-13-8-10(6-7-18-13)9-19-12-5-3-4-11(15)14(12)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyFYWPSTUXONDZQV-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-dichlorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466550
2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 116689899
4-[(2-chloro-5-methylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62466198
N-ethyl-4-[(2,3,5,6-tetrafluorophenoxy)methyl]pyridin-2-amine
CID 103290176
4-[(3-chloro-2-fluorophenoxy)methyl]-N'-hydroxypyridine-2-carboximidamide
CID 136952615
2-[(3-chloro-2-fluorophenoxy)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 116689913
4-[(3,5-dimethylphenoxy)methyl]-N-ethylpyridin-2-amine
CID 62465294
2-[(3-chloro-2-fluorophenoxy)methyl]-N,6-dimethylpyrimidin-4-amine
CID 116689908
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 62465712
N-[[4-[(3-chloro-2-fluorophenoxy)methyl]phenyl]methyl]propan-1-amine
CID 116690161
4-[(2-chlorophenyl)sulfanylmethyl]-N-ethylpyridin-2-amine
CID 55076302
4-[(2-chlorophenyl)methylsulfanylmethyl]-N-ethylpyridin-2-amine
CID 103289825

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The IUPAC name of 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine (CID 116689918) is 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The canonical SMILES for 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine is CCNc1cc(COc2cccc(Cl)c2F)ccn1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
The InChIKey is FYWPSTUXONDZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-13-8-10(6-7-18-13)9-19-12-5-3-4-11(15)14(12)16/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine?
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine has a molecular weight of 280.73 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine is sourced from PubChem (CID 116689918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).