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

C14H14ClFN2O — CID 116689899

IUPAC2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-10-6-7-18-11(8-10)9-19-13-5-3-4-12(15)14(13)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyAYSOSWLIPDURNE-UHFFFAOYSA-N
MW280.73 g/mol
LogP3.88
Rot. Bonds5

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

2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine (PubChem CID 116689899) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine.

Molecular Properties

Compound Name2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
PubChem CID116689899
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine
SMILESCCNc1ccnc(COc2cccc(Cl)c2F)c1
InChIInChI=1S/C14H14ClFN2O/c1-2-17-10-6-7-18-11(8-10)9-19-13-5-3-4-12(15)14(13)16/h3-8H,2,9H2,1H3,(H,17,18)
InChIKeyAYSOSWLIPDURNE-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

N-ethyl-2-(naphthalen-1-yloxymethyl)pyridin-4-amine
CID 79245220
4-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-2-amine
CID 116689918
2-[(3-chlorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 79251583
2-[(5-bromo-2,3-difluorophenoxy)methyl]-N-ethylpyridin-4-amine
CID 107101003
2-[(2,3-dichlorophenoxy)methyl]-N-methylpyridin-4-amine
CID 79250827
2-(ethoxymethyl)-N-ethylpyridin-4-amine
CID 79251240
N-ethyl-2-[(4-methylsulfanylphenoxy)methyl]pyridin-4-amine
CID 79260149
N-ethyl-2-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-4-amine
CID 104832414
2-[(3-fluorophenoxy)methyl]-N-propylpyridin-4-amine
CID 79251163
[4-[[4-(ethylamino)-2-pyridinyl]methoxy]phenyl]methanol
CID 79260144
4-[[4-(ethylamino)-2-pyridinyl]methoxy]-3-methoxybenzonitrile
CID 79244990
2-[(2-fluoro-5-methylphenoxy)methyl]-N-propylpyridin-4-amine
CID 79260153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The IUPAC name of 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine (CID 116689899) is 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine.
What is the SMILES notation for 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The canonical SMILES for 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine is CCNc1ccnc(COc2cccc(Cl)c2F)c1.
What is the InChIKey of 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine?
The InChIKey is AYSOSWLIPDURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c1-2-17-10-6-7-18-11(8-10)9-19-13-5-3-4-12(15)14(13)16/h3-8H,2,9H2,1H3,(H,17,18).
What are the key properties of 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine?
2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-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 2-[(3-chloro-2-fluorophenoxy)methyl]-N-ethylpyridin-4-amine is sourced from PubChem (CID 116689899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).